N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide

C15H24N2O2S — CID 115308869

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-6-8-14(9-7-12)20(18,19)17-15(11-16)10-4-3-5-13(15)2/h6-9,13,17H,3-5,10-11,16H2,1-2H3
InChIKeyBZMWUIBPVMGSSE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.18
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 115308869) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID115308869
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-12-6-8-14(9-7-12)20(18,19)17-15(11-16)10-4-3-5-13(15)2/h6-9,13,17H,3-5,10-11,16H2,1-2H3
InChIKeyBZMWUIBPVMGSSE-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 120607479
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 120607415
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-N-methylbenzenesulfonamide
CID 115308945
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 115308803
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-phenylpyrimidine-5-sulfonamide;hydrochloride
CID 120713581
3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide;hydrochloride
CID 120607408

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide (CID 115308869) is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)cc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is BZMWUIBPVMGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-8-14(9-7-12)20(18,19)17-15(11-16)10-4-3-5-13(15)2/h6-9,13,17H,3-5,10-11,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 115308869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).