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1-{3-[(thiophen-2-ylmethyl)amino]propyl}pyrrolidin-2-one

1-{3-[(thiophen-2-ylmethyl)amino]propyl}pyrrolidin-2-one

Formula: C12H18N2OS

SMILES: O=C1CCCN1CCCNCC1=CC=CS1

IUPAC: 1-(3-{[(thiophen-2-yl)methyl]amino}propyl)pyrrolidin-2-one

InChI: InChI=1S/C12H18N2OS/c15-12-5-1-7-14(12)8-3-6-13-10-11-4-2-9-16-11/h2,4,9,13H,1,3,5-8,10H2

Composition: C (60.47%), H (7.61%), N (11.75%), O (6.71%), S (13.45%)

Molar Mass: 238.35

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.113984382
Formal Charge 0
FSP3 0.58
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MJSMTSRQPVMWBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.25
Topological Polar Surface Area 32.34
Polarizability 25.72
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H18N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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