(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride

C10H23ClN2O2S — CID 119323572

IUPAC(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCCC(O)CNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-4-8(13)7-12-10(14)9(11)5-6-15-2;/h8-9,13H,3-7,11H2,1-2H3,(H,12,14);1H/t8?,9-;/m0./s1
InChIKeyOFCHOHQYGSKRPV-MTFPJWTKSA-N
MW270.83 g/mol
LogP0.77
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119323572) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119323572
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCCCC(O)CNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-4-8(13)7-12-10(14)9(11)5-6-15-2;/h8-9,13H,3-7,11H2,1-2H3,(H,12,14);1H/t8?,9-;/m0./s1
InChIKeyOFCHOHQYGSKRPV-MTFPJWTKSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-hydroxypropanoate
CID 107222588
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
3-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]pentanoic acid
CID 81072542
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
2-amino-4-methylsulfanyl-N-(2-phenylbutyl)butanamide;hydrochloride
CID 119271728
(2S)-2-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119328623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119323572) is (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride is CCCC(O)CNC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is OFCHOHQYGSKRPV-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-3-4-8(13)7-12-10(14)9(11)5-6-15-2;/h8-9,13H,3-7,11H2,1-2H3,(H,12,14);1H/t8?,9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119323572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).