1-methanesulfonyl-4-[(3-nitrophenyl)methyl]piperazine

1-methanesulfonyl-4-[(3-nitrophenyl)methyl]piperazine

Formula: C12H17N3O4S

SMILES: CS(=O)(=O)N1CCN(CC2=CC(=CC=C2)[N+]([O-])=O)CC1

IUPAC: 1-methanesulfonyl-4-[(3-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C12H17N3O4S/c1-20(18,19)14-7-5-13(6-8-14)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3

Composition: C (48.15%), H (5.72%), N (14.04%), O (21.38%), S (10.71%)

Molar Mass: 299.35

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.093977213
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IWEOQZSECUTOAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.84
Topological Polar Surface Area	83.76
Polarizability	29.42
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00