2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide

C13H25NO5S2 — CID 96533216

IUPAC2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
SMILESCCS(=O)(=O)C[C@H](C)N(C)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H25NO5S2/c1-4-20(16,17)9-11(2)14(3)13(15)10-21(18,19)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGZKBMURQPEKLN-NSHDSACASA-N
MW339.48 g/mol
LogP0.63
Rot. Bonds7

About 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide

2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide (PubChem CID 96533216) has the molecular formula C13H25NO5S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
PubChem CID96533216
Molecular FormulaC13H25NO5S2
Molecular Weight339.48 g/mol
Exact Mass339.12
IUPAC Name2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
SMILESCCS(=O)(=O)C[C@H](C)N(C)C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H25NO5S2/c1-4-20(16,17)9-11(2)14(3)13(15)10-21(18,19)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGZKBMURQPEKLN-NSHDSACASA-N
XLogP0.63
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786372
2-cyclopentylsulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78883490
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
2-cyclohexylsulfonylethaneperoxoic acid
CID 163740166
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119786350
2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
CID 136534969
2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
CID 119224037
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide (CID 96533216) is 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide is CCS(=O)(=O)C[C@H](C)N(C)C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide?
The InChIKey is MGZKBMURQPEKLN-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO5S2/c1-4-20(16,17)9-11(2)14(3)13(15)10-21(18,19)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide?
2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide has a molecular weight of 339.48 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 96533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).