3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one

C17H25NO3S — CID 152662603

IUPAC3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(C)(CN)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13-8-10-15(11-9-13)22(20,21)17(2,12-18)16(19)14-6-4-3-5-7-14/h8-11,14H,3-7,12,18H2,1-2H3
InChIKeyZJVUROPUOYPXST-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one

3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 152662603) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID152662603
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(C)(CN)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-13-8-10-15(11-9-13)22(20,21)17(2,12-18)16(19)14-6-4-3-5-7-14/h8-11,14H,3-7,12,18H2,1-2H3
InChIKeyZJVUROPUOYPXST-UHFFFAOYSA-N
XLogP2.64
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[tert-butyl-(2-cyclohexyl-2-oxoethyl)-methyl-λ4-sulfanyl]-(4-methylphenyl)sulfonyloxidanium
CID 90719905
1-methyl-4-(tribromomethylsulfonyl)benzene
CID 562875
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 119524399
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119573994
2-bromo-1-cyclohexyl-2-(4-methylphenyl)sulfinylpentan-1-one
CID 15046040
(4-methylphenyl)sulfonyl cyclopentanecarboperoxoate
CID 142508498
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
1-(2-cyclohexyl-3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
CID 151755782
tert-butyl N-[(cyclohexylamino)-(4-methylphenyl)-oxo-λ6-sulfanylidene]carbamate
CID 46222281

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one (CID 152662603) is 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)C(C)(CN)C(=O)C2CCCCC2)cc1.
What is the InChIKey of 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is ZJVUROPUOYPXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13-8-10-15(11-9-13)22(20,21)17(2,12-18)16(19)14-6-4-3-5-7-14/h8-11,14H,3-7,12,18H2,1-2H3.
What are the key properties of 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 323.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 152662603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).