3-(piperazin-1-yl)-1??-thiolane-1,1-dione

3-(piperazin-1-yl)-1??-thiolane-1,1-dione

CAS: 110469-63-1

Formula: C8H16N2O2S

SMILES: O=S1(=O)CCC(C1)N1CCNCC1

IUPAC: 3-(piperazin-1-yl)-1??-thiolane-1,1-dione

InChI: InChI=1/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2

Composition: C (47.04%), H (7.89%), N (13.71%), O (15.66%), S (15.69%)

Molar Mass: 204.29

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	204.093248937
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CNOXWQHELZMCQH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.29
Topological Polar Surface Area	49.41
Polarizability	21.26
Ring Count	2
Rotatable Bond Count	1

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