1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide

C14H22N2O3S — CID 102631235

IUPAC1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(13-4-2-3-5-14(13)17)20(18,19)10-11-6-8-12(15)9-7-11/h6-9,13-14,17H,2-5,10,15H2,1H3
InChIKeyCOINMRWHYWXBFO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide

1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide (PubChem CID 102631235) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
PubChem CID102631235
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3S/c1-16(13-4-2-3-5-14(13)17)20(18,19)10-11-6-8-12(15)9-7-11/h6-9,13-14,17H,2-5,10,15H2,1H3
InChIKeyCOINMRWHYWXBFO-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
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

1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63877718
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
CID 102631363
4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102631283
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide (CID 102631235) is 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide is CN(C1CCCCC1O)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide?
The InChIKey is COINMRWHYWXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(13-4-2-3-5-14(13)17)20(18,19)10-11-6-8-12(15)9-7-11/h6-9,13-14,17H,2-5,10,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide?
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 102631235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).