2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide

C13H26N2O3S — CID 84593072

IUPAC2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(C1CCCC1)C(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,15(3)11-7-5-6-8-11)12(16)14-9-10-19(4,17)18/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyNVAPQQHYISMQQC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.80
Rot. Bonds6

About 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide

2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 84593072) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID84593072
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(C1CCCC1)C(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,15(3)11-7-5-6-8-11)12(16)14-9-10-19(4,17)18/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyNVAPQQHYISMQQC-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[methyl-(2-methylsulfonylcyclopentyl)amino]acetamide
CID 71974506
(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
CID 164634983
N-({(2S,4S)-4-fluoro-1-[(methylsulfonyl)acetyl]pyrrolidin-2-yl}methyl)-2-methylpropanamide
CID 70706490
N-[[4-fluoro-1-(2-methylsulfonylacetyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide
CID 77897325
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16277494
(2S)-1-[2-(2-methylsulfonylethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11391280
4-[(1,1-Dioxothiolan-2-yl)methyl]-6-(methylamino)-1,4-thiazepan-5-one
CID 22984952
4-Cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22985033
4-Tert-butyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22985211
6-(Methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one
CID 22985217
3,3-Dimethyl-6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one
CID 60074667
N-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 60919467

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide (CID 84593072) is 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide is CN(C1CCCC1)C(C)(C)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is NVAPQQHYISMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2,15(3)11-7-5-6-8-11)12(16)14-9-10-19(4,17)18/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide?
2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 290.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-2-methyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 84593072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).