(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide

C14H24N2OS — CID 2481427

IUPAC(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@H](C)SC1CCCC1
InChIInChI=1S/C14H24N2OS/c1-10(2)14(4,9-15)16-13(17)11(3)18-12-7-5-6-8-12/h10-12H,5-8H2,1-4H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyCSICWUNUZDNCIM-FZMZJTMJSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds5

About (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide

(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide (PubChem CID 2481427) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide
PubChem CID2481427
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@H](C)SC1CCCC1
InChIInChI=1S/C14H24N2OS/c1-10(2)14(4,9-15)16-13(17)11(3)18-12-7-5-6-8-12/h10-12H,5-8H2,1-4H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyCSICWUNUZDNCIM-FZMZJTMJSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7988567
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25491438
2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 42976081
(2S)-2-cyclopentylsulfanyl-N-(methylcarbamoyl)propanamide
CID 7398190
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
CID 31041050
2-cycloheptylsulfanylpropanoic acid
CID 82925938
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40624588
[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053648
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(1R)-2,2-dimethylcyclopentyl]amino]acetamide
CID 99792082
(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
CID 8705609

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide (CID 2481427) is (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide is CC(C)[C@](C)(C#N)NC(=O)[C@H](C)SC1CCCC1.
What is the InChIKey of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide?
The InChIKey is CSICWUNUZDNCIM-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)14(4,9-15)16-13(17)11(3)18-12-7-5-6-8-12/h10-12H,5-8H2,1-4H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide?
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide has a molecular weight of 268.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide is sourced from PubChem (CID 2481427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).