4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide

C14H23N3O2S — CID 63759832

IUPAC4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
SMILESCC1CCCC(CN)(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-11-3-2-8-14(9-11,10-15)17-12-4-6-13(7-5-12)20(16,18)19/h4-7,11,17H,2-3,8-10,15H2,1H3,(H2,16,18,19)
InChIKeyIOPOGXRQBPVTBZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.65
Rot. Bonds4

About 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide

4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide (PubChem CID 63759832) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
PubChem CID63759832
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
SMILESCC1CCCC(CN)(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-11-3-2-8-14(9-11,10-15)17-12-4-6-13(7-5-12)20(16,18)19/h4-7,11,17H,2-3,8-10,15H2,1H3,(H2,16,18,19)
InChIKeyIOPOGXRQBPVTBZ-UHFFFAOYSA-N
XLogP1.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide (CID 63759832) is 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide is CC1CCCC(CN)(Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide?
The InChIKey is IOPOGXRQBPVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-3-2-8-14(9-11,10-15)17-12-4-6-13(7-5-12)20(16,18)19/h4-7,11,17H,2-3,8-10,15H2,1H3,(H2,16,18,19).
What are the key properties of 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide?
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide is sourced from PubChem (CID 63759832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).