N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide

C15H24N2O2S — CID 71213352

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(CN)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-3,8-9,13-14,17H,4-7,10-11,16H2,1H3
InChIKeyQOKWDSFDHWFLSA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide

N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 71213352) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
PubChem CID71213352
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(CN)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-3,8-9,13-14,17H,4-7,10-11,16H2,1H3
InChIKeyQOKWDSFDHWFLSA-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 20599120
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide
CID 53231494
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide (CID 71213352) is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(CN)CC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is QOKWDSFDHWFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-14-6-4-13(10-16)5-7-14/h2-3,8-9,13-14,17H,4-7,10-11,16H2,1H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71213352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).