(2S)-2-amino-5-oxo-6-sulfanylhexanamide

C6H12N2O2S — CID 168665424

IUPAC(2S)-2-amino-5-oxo-6-sulfanylhexanamide
SMILESNC(=O)[C@@H](N)CCC(=O)CS
InChIInChI=1S/C6H12N2O2S/c7-5(6(8)10)2-1-4(9)3-11/h5,11H,1-3,7H2,(H2,8,10)/t5-/m0/s1
InChIKeyNYYYRJFMUFIMFG-YFKPBYRVSA-N
MW176.24 g/mol
LogP-0.92
Rot. Bonds5

About (2S)-2-amino-5-oxo-6-sulfanylhexanamide

(2S)-2-amino-5-oxo-6-sulfanylhexanamide (PubChem CID 168665424) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-6-sulfanylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-6-sulfanylhexanamide
PubChem CID168665424
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(2S)-2-amino-5-oxo-6-sulfanylhexanamide
SMILESNC(=O)[C@@H](N)CCC(=O)CS
InChIInChI=1S/C6H12N2O2S/c7-5(6(8)10)2-1-4(9)3-11/h5,11H,1-3,7H2,(H2,8,10)/t5-/m0/s1
InChIKeyNYYYRJFMUFIMFG-YFKPBYRVSA-N
XLogP-0.92
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
CID 57078512
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
CID 18640660
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
CID 174557406
(2R)-2-amino-4-(hydroxymethylphosphanyl)butanamide
CID 175028066
(3R)-3-amino-4-hydroxy-1-sulfanylbutan-2-one
CID 174592431
2-aminoethanethiol;(2S)-2,5-diamino-5-oxopentanoic acid
CID 174806169
2-amino-6-[(1-carboxy-2-sulfanylethyl)amino]-5-oxohexanoic acid
CID 118368268
(2S)-2-amino-6-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxohexanoic acid
CID 118368269
(2R)-2,7-diamino-5-oxoheptanoic acid
CID 174747193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-6-sulfanylhexanamide?
The IUPAC name of (2S)-2-amino-5-oxo-6-sulfanylhexanamide (CID 168665424) is (2S)-2-amino-5-oxo-6-sulfanylhexanamide.
What is the SMILES notation for (2S)-2-amino-5-oxo-6-sulfanylhexanamide?
The canonical SMILES for (2S)-2-amino-5-oxo-6-sulfanylhexanamide is NC(=O)[C@@H](N)CCC(=O)CS.
What is the InChIKey of (2S)-2-amino-5-oxo-6-sulfanylhexanamide?
The InChIKey is NYYYRJFMUFIMFG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2S/c7-5(6(8)10)2-1-4(9)3-11/h5,11H,1-3,7H2,(H2,8,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-6-sulfanylhexanamide?
(2S)-2-amino-5-oxo-6-sulfanylhexanamide has a molecular weight of 176.24 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-6-sulfanylhexanamide is sourced from PubChem (CID 168665424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).