1-(4-methylbenzenesulfonyl)methanamine

1-(4-methylbenzenesulfonyl)methanamine

CAS: 119703-02-5

Formula: C8H11NO2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)CN

IUPAC: 1-(4-methylbenzenesulfonyl)methanamine

InChI: InChI=1S/C8H11NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,6,9H2,1H3

Composition: C (51.87%), H (5.99%), N (7.56%), O (17.27%), S (17.31%)

Molar Mass: 185.24

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.051049772
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HELAGCGZPSHHKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.8
Topological Polar Surface Area	60.16
Polarizability	19.6
Ring Count	1
Rotatable Bond Count	2

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