N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide

C15H24N2O3S — CID 63766993

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-4-3-9-15(10-12,11-16)17-21(18,19)14-7-5-13(20-2)6-8-14/h5-8,12,17H,3-4,9-11,16H2,1-2H3
InChIKeyYLVWNEDWZXVPNW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.88
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide (PubChem CID 63766993) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
PubChem CID63766993
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CN)CCCC(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-4-3-9-15(10-12,11-16)17-21(18,19)14-7-5-13(20-2)6-8-14/h5-8,12,17H,3-4,9-11,16H2,1-2H3
InChIKeyYLVWNEDWZXVPNW-UHFFFAOYSA-N
XLogP1.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3R)-1-cyano-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 99628823
N-[(1S,3S)-1-cyano-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 99628826
N-(1-cyano-3-methylcyclohexyl)-4-methoxybenzenesulfonamide
CID 86799167
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 114293987
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-fluoropyridine-3-sulfonamide
CID 63765090
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
CID 43119831
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide (CID 63766993) is N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(CN)CCCC(C)C2)cc1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide?
The InChIKey is YLVWNEDWZXVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-3-9-15(10-12,11-16)17-21(18,19)14-7-5-13(20-2)6-8-14/h5-8,12,17H,3-4,9-11,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 63766993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).