(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide

C11H22N2OS — CID 22691835

IUPAC(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-15-8-7-10(12)11(14)13-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOXWOGUZWVNPRBB-JTQLQIEISA-N
MW230.38 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide (PubChem CID 22691835) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide
PubChem CID22691835
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-15-8-7-10(12)11(14)13-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOXWOGUZWVNPRBB-JTQLQIEISA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 3522024
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
(S)-6-amino-2-((S)-2-(2-mercaptoacetamido)-4-(methylthio)butanamido)hexanamide
CID 46882810
Butyramide, N-cyclohexyl-2-ethyl-2-ethylthio-
CID 48200
(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
CID 46231530
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
2-amino-3-(methylsulfanyl)-N-[3-(methylsulfanyl)propyl]propanamide
CID 85650766
(3S,6S)-3,6-bis(2-methylsulfanylethyl)piperazine-2,5-dione
CID 6993079
Propanamide, N-cyclohexyl-3-(methylthio)-
CID 10845759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide (CID 22691835) is (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide?
The InChIKey is OXWOGUZWVNPRBB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-8-7-10(12)11(14)13-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide has a molecular weight of 230.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclohexyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 22691835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).