(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide

C12H24N2O3S — CID 97069973

IUPAC(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-12(2,3)10(14-18(4,16)17)11(15)13-9-7-5-6-8-9/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyJRCLOMYGJGQZNE-SNVBAGLBSA-N
MW276.40 g/mol
LogP1.01
Rot. Bonds4

About (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide

(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide (PubChem CID 97069973) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
PubChem CID97069973
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O3S/c1-12(2,3)10(14-18(4,16)17)11(15)13-9-7-5-6-8-9/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyJRCLOMYGJGQZNE-SNVBAGLBSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 99815800
(2S)-2-(methanesulfonamido)-3,3-dimethyl-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]butanamide
CID 124777601
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 166254757
2-chloro-N-cyclopentyl-4,4-dimethylpentanamide
CID 62966363
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
CID 105360711
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide
CID 173105917

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide (CID 97069973) is (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide is CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide?
The InChIKey is JRCLOMYGJGQZNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(2,3)10(14-18(4,16)17)11(15)13-9-7-5-6-8-9/h9-10,14H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide?
(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide has a molecular weight of 276.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide is sourced from PubChem (CID 97069973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).