2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

C14H22N2O3S — CID 65115511

IUPAC2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-6-8-14(17,9-7-11)10-16-20(18,19)13-5-3-2-4-12(13)15/h2-5,11,16-17H,6-10,15H2,1H3
InChIKeyAYPNQXTZMQVAMP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65115511) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65115511
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H22N2O3S/c1-11-6-8-14(17,9-7-11)10-16-20(18,19)13-5-3-2-4-12(13)15/h2-5,11,16-17H,6-10,15H2,1H3
InChIKeyAYPNQXTZMQVAMP-UHFFFAOYSA-N
XLogP1.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (CID 65115511) is 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(O)(CNS(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is AYPNQXTZMQVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-6-8-14(17,9-7-11)10-16-20(18,19)13-5-3-2-4-12(13)15/h2-5,11,16-17H,6-10,15H2,1H3.
What are the key properties of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65115511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).