1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide

C14H22N2O3S — CID 106119368

IUPAC1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c15-13-6-4-11(5-7-13)10-20(18,19)16-9-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10,15H2
InChIKeyXAIDFAKSPOMGMV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.24
Rot. Bonds5

About 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide

1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide (PubChem CID 106119368) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
PubChem CID106119368
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c15-13-6-4-11(5-7-13)10-20(18,19)16-9-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10,15H2
InChIKeyXAIDFAKSPOMGMV-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
CID 43371562
N-[(3-hydroxycyclohexyl)methyl]prop-2-ene-1-sulfonamide
CID 106126398
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
CID 83012753
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide (CID 106119368) is 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide is Nc1ccc(CS(=O)(=O)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide?
The InChIKey is XAIDFAKSPOMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-13-6-4-11(5-7-13)10-20(18,19)16-9-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10,15H2.
What are the key properties of 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide?
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 106119368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).