3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide

C14H23N3O2S — CID 63243254

IUPAC3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide
SMILESCC1CCC(CNc2cc(N)cc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-10-2-4-11(5-3-10)9-17-13-6-12(15)7-14(8-13)20(16,18)19/h6-8,10-11,17H,2-5,9,15H2,1H3,(H2,16,18,19)
InChIKeyQUAKNGXLKCAOSA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide

3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide (PubChem CID 63243254) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide
PubChem CID63243254
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide
SMILESCC1CCC(CNc2cc(N)cc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-10-2-4-11(5-3-10)9-17-13-6-12(15)7-14(8-13)20(16,18)19/h6-8,10-11,17H,2-5,9,15H2,1H3,(H2,16,18,19)
InChIKeyQUAKNGXLKCAOSA-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 60987259
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
CID 63995222
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine
CID 107411178
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 54887701
3-amino-5-(2-hydroxybutylamino)benzenesulfonamide
CID 113491915
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
1-N-[(4-methylcyclohexyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63243524
2-[2-(3-amino-5-sulfamoylanilino)ethoxy]acetamide
CID 106234438
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide (CID 63243254) is 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide is CC1CCC(CNc2cc(N)cc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide?
The InChIKey is QUAKNGXLKCAOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-2-4-11(5-3-10)9-17-13-6-12(15)7-14(8-13)20(16,18)19/h6-8,10-11,17H,2-5,9,15H2,1H3,(H2,16,18,19).
What are the key properties of 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide?
3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methylcyclohexyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 63243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).