1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide

C14H25N3O2S — CID 125435168

IUPAC1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)CC1CCCC1)c1nccn1C
InChIInChI=1S/C14H25N3O2S/c1-11(2)13(14-15-8-9-17(14)3)16-20(18,19)10-12-6-4-5-7-12/h8-9,11-13,16H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyNDEIOAINZLROLO-ZDUSSCGKSA-N
MW299.44 g/mol
LogP2.23
Rot. Bonds6

About 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide

1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide (PubChem CID 125435168) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide
PubChem CID125435168
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)CC1CCCC1)c1nccn1C
InChIInChI=1S/C14H25N3O2S/c1-11(2)13(14-15-8-9-17(14)3)16-20(18,19)10-12-6-4-5-7-12/h8-9,11-13,16H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyNDEIOAINZLROLO-ZDUSSCGKSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-Methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 71847499
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]ethanesulfonamide
CID 75500248
N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
CID 84590516
2-[2-(2-Propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 84590517
(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine
CID 95203842
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
CID 125437589
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 125439977
2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole
CID 125445143
(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine
CID 164635406
(3S)-1-(4,4-dimethylpentylsulfonyl)-3-(2-ethylimidazol-1-yl)piperidine
CID 164636406
2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole
CID 164639057

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide (CID 125435168) is 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide is CC(C)[C@H](NS(=O)(=O)CC1CCCC1)c1nccn1C.
What is the InChIKey of 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide?
The InChIKey is NDEIOAINZLROLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)13(14-15-8-9-17(14)3)16-20(18,19)10-12-6-4-5-7-12/h8-9,11-13,16H,4-7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide?
1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide is sourced from PubChem (CID 125435168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).