N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide

C14H22N2O2S — CID 106126034

IUPACN-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)19(17,18)16-10-12-5-3-6-13(15)9-12/h2,4,7-8,12-13,16H,3,5-6,9-10,15H2,1H3
InChIKeyVLSQRFQLIAQNQR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide

N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 106126034) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
PubChem CID106126034
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)19(17,18)16-10-12-5-3-6-13(15)9-12/h2,4,7-8,12-13,16H,3,5-6,9-10,15H2,1H3
InChIKeyVLSQRFQLIAQNQR-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide (CID 106126034) is N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2CCCC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is VLSQRFQLIAQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-2-7-14(8-11)19(17,18)16-10-12-5-3-6-13(15)9-12/h2,4,7-8,12-13,16H,3,5-6,9-10,15H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide?
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 106126034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).