(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide

C11H22N2OS — CID 61154669

IUPAC(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C1CCCC1
InChIInChI=1S/C11H22N2OS/c1-13(9-5-3-4-6-9)11(14)10(12)7-8-15-2/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyXGBNMFXUAWJWJZ-JTQLQIEISA-N
MW230.38 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide (PubChem CID 61154669) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
PubChem CID61154669
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C1CCCC1
InChIInChI=1S/C11H22N2OS/c1-13(9-5-3-4-6-9)11(14)10(12)7-8-15-2/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyXGBNMFXUAWJWJZ-JTQLQIEISA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
CID 104906791
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
CID 61164338
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
(2S)-2-amino-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methyl-4-methylsulfanylbutanamide
CID 125146497
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889652
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
CID 119275217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide (CID 61154669) is (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)C1CCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is XGBNMFXUAWJWJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2OS/c1-13(9-5-3-4-6-9)11(14)10(12)7-8-15-2/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 230.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 61154669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).