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

C6H11N3OS — CID 79193616

IUPAC(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC#N
InChIInChI=1S/C6H11N3OS/c1-11-3-2-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyQURLGHCWDGKIIH-YFKPBYRVSA-N
MW173.24 g/mol
LogP-0.34
Rot. Bonds4

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

(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide (PubChem CID 79193616) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
PubChem CID79193616
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC#N
InChIInChI=1S/C6H11N3OS/c1-11-3-2-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyQURLGHCWDGKIIH-YFKPBYRVSA-N
XLogP-0.34
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
2-amino-N-cyanopentanamide
CID 79195129
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-4-methylsulfanylbutanehydrazide;bromo hypobromite
CID 158556159
N-cyano-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 79194141
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(4S)-4-amino-2,2-dimethyl-6-methylsulfanyl-3-oxohexanenitrile
CID 151936655
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 102454632
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide (CID 79193616) is (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC#N.
What is the InChIKey of (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide?
The InChIKey is QURLGHCWDGKIIH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-11-3-2-5(8)6(10)9-4-7/h5H,2-3,8H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide?
(2S)-2-amino-N-cyano-4-methylsulfanylbutanamide has a molecular weight of 173.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyano-4-methylsulfanylbutanamide is sourced from PubChem (CID 79193616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).