(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide

C14H28N2OS — CID 62406341

IUPAC(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
SMILESCCC(NC(=O)[C@@H](N)CCSC)C1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-3-13(11-7-5-4-6-8-11)16-14(17)12(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t12-,13?/m0/s1
InChIKeyWNSYWJSQELNZAF-UEWDXFNNSA-N
MW272.46 g/mol
LogP2.54
Rot. Bonds7

About (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide (PubChem CID 62406341) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
PubChem CID62406341
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
SMILESCCC(NC(=O)[C@@H](N)CCSC)C1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-3-13(11-7-5-4-6-8-11)16-14(17)12(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t12-,13?/m0/s1
InChIKeyWNSYWJSQELNZAF-UEWDXFNNSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
2-amino-N-(1-cyclohexylpropyl)-5-methoxypentanamide
CID 81088329
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119331086
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2R)-2-amino-4-methylsulfanyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 104909088
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119850474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide (CID 62406341) is (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide is CCC(NC(=O)[C@@H](N)CCSC)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is WNSYWJSQELNZAF-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-3-13(11-7-5-4-6-8-11)16-14(17)12(15)9-10-18-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 272.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 62406341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).