4-methanesulfonyl-3-(piperidin-1-yl)aniline

4-methanesulfonyl-3-(piperidin-1-yl)aniline

CAS: 942474-23-9

Formula: C12H18N2O2S

SMILES: CS(=O)(=O)C1=C(C=C(N)C=C1)N1CCCCC1

IUPAC: 4-methanesulfonyl-3-(piperidin-1-yl)aniline

InChI: InChI=1S/C12H18N2O2S/c1-17(15,16)12-6-5-10(13)9-11(12)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3

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	4
Hydrogen Bond Donor Count	1
InChIKey	AWAXQNDPZPSFKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.33
Topological Polar Surface Area	63.4
Polarizability	27.07
Ring Count	2
Rotatable Bond Count	2

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