5-amino-2-hydroxy-N-methylsulfanylpentanamide

C6H14N2O2S — CID 91334836

IUPAC5-amino-2-hydroxy-N-methylsulfanylpentanamide
SMILESCSNC(=O)C(O)CCCN
InChIInChI=1S/C6H14N2O2S/c1-11-8-6(10)5(9)3-2-4-7/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyDISQJOKZSPHTHV-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.52
Rot. Bonds5

About 5-amino-2-hydroxy-N-methylsulfanylpentanamide

5-amino-2-hydroxy-N-methylsulfanylpentanamide (PubChem CID 91334836) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-amino-2-hydroxy-N-methylsulfanylpentanamide.

Molecular Properties

Compound Name5-amino-2-hydroxy-N-methylsulfanylpentanamide
PubChem CID91334836
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name5-amino-2-hydroxy-N-methylsulfanylpentanamide
SMILESCSNC(=O)C(O)CCCN
InChIInChI=1S/C6H14N2O2S/c1-11-8-6(10)5(9)3-2-4-7/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyDISQJOKZSPHTHV-UHFFFAOYSA-N
XLogP-0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(disulfanyl)-2-hydroxypentanamide
CID 123241228
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
5-amino-N-(2-aminoethyl)-2-[bis(2-aminoethyl)amino]pentanamide
CID 91323931
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
CID 114125400
6-amino-2-hydroxyhexanoic acid
CID 517029
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-N-methylsulfanylpentanamide?
The IUPAC name of 5-amino-2-hydroxy-N-methylsulfanylpentanamide (CID 91334836) is 5-amino-2-hydroxy-N-methylsulfanylpentanamide.
What is the SMILES notation for 5-amino-2-hydroxy-N-methylsulfanylpentanamide?
The canonical SMILES for 5-amino-2-hydroxy-N-methylsulfanylpentanamide is CSNC(=O)C(O)CCCN.
What is the InChIKey of 5-amino-2-hydroxy-N-methylsulfanylpentanamide?
The InChIKey is DISQJOKZSPHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11-8-6(10)5(9)3-2-4-7/h5,9H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 5-amino-2-hydroxy-N-methylsulfanylpentanamide?
5-amino-2-hydroxy-N-methylsulfanylpentanamide has a molecular weight of 178.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-N-methylsulfanylpentanamide is sourced from PubChem (CID 91334836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).