3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride

C16H25ClN2O3S — CID 91645891

IUPAC3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)C1CCCC(NC(=O)CC(N)c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(20,21)14-9-5-8-13(10-14)18-16(19)11-15(17)12-6-3-2-4-7-12;/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyDGADDYQCSHGXPL-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.97
Rot. Bonds5

About 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 91645891) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID91645891
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)C1CCCC(NC(=O)CC(N)c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(20,21)14-9-5-8-13(10-14)18-16(19)11-15(17)12-6-3-2-4-7-12;/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyDGADDYQCSHGXPL-UHFFFAOYSA-N
XLogP1.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-N-[(1R,3R)-3-methylsulfonylcyclohexyl]-3-phenylpropanamide
CID 99776355
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
2-methoxy-1-(3-methylsulfonylcyclohexyl)-2-phenylethanone
CID 116751376
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 91645891) is 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride is CS(=O)(=O)C1CCCC(NC(=O)CC(N)c2ccccc2)C1.Cl.
What is the InChIKey of 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is DGADDYQCSHGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-22(20,21)14-9-5-8-13(10-14)18-16(19)11-15(17)12-6-3-2-4-7-12;/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 91645891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).