2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C17H31NO3S — CID 95310652

IUPAC2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H31NO3S/c1-13-7-6-10-16(14(13)2)18-17(19)12-22(20,21)11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14-,16+/m1/s1
InChIKeyHEHFIJWQMTVUJL-FMKPAKJESA-N
MW329.51 g/mol
LogP2.92
Rot. Bonds5

About 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 95310652) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID95310652
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H31NO3S/c1-13-7-6-10-16(14(13)2)18-17(19)12-22(20,21)11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14-,16+/m1/s1
InChIKeyHEHFIJWQMTVUJL-FMKPAKJESA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-(2,3-dimethylcyclohexyl)-2-[3-(sulfamoylmethyl)piperidin-1-yl]acetamide
CID 56805712
1-(3-cyclopentylpropanoylamino)-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946250
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 79113302
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
N-(2,3-dimethylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119676189
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 92662738
2-azido-N-(2,3-dimethylcyclohexyl)acetamide
CID 61374962
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 95310652) is 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is HEHFIJWQMTVUJL-FMKPAKJESA-N. The full InChI is InChI=1S/C17H31NO3S/c1-13-7-6-10-16(14(13)2)18-17(19)12-22(20,21)11-15-8-4-3-5-9-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14-,16+/m1/s1.
What are the key properties of 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 329.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonyl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 95310652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).