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

C13H26N2OS — CID 61178313

IUPAC(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-10-8-12(14)13(16)15-9-7-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyOYIKWIXHCIHVHA-LBPRGKRZSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds7

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

(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide (PubChem CID 61178313) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
PubChem CID61178313
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-10-8-12(14)13(16)15-9-7-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyOYIKWIXHCIHVHA-LBPRGKRZSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
(2R)-2-amino-N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutanamide
CID 104908500
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide (CID 61178313) is (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide?
The InChIKey is OYIKWIXHCIHVHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-17-10-8-12(14)13(16)15-9-7-11-5-3-2-4-6-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 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-(2-cyclohexylethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61178313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).