1-(3,4-dimethylbenzenesulfonyl)piperazine

1-(3,4-dimethylbenzenesulfonyl)piperazine

CAS: 524711-31-7

Formula: C12H18N2O2S

SMILES: CC1=C(C)C=C(C=C1)S(=O)(=O)N1CCNCC1

IUPAC: 1-(3,4-dimethylbenzenesulfonyl)piperazine

InChI: InChI=1S/C12H18N2O2S/c1-10-3-4-12(9-11(10)2)17(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

Composition: C (56.67%), H (7.13%), N (11.01%), O (12.58%), S (12.60%)

Molar Mass: 254.35

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.108899002
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KVWMTCHRBNHJNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.85
Topological Polar Surface Area	49.41
Polarizability	27.3
Ring Count	2
Rotatable Bond Count	1

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