3-methyl-2-(sulfanylamino)butanamide

C5H12N2OS — CID 166473642

IUPAC3-methyl-2-(sulfanylamino)butanamide
SMILESCC(C)C(NS)C(N)=O
InChIInChI=1S/C5H12N2OS/c1-3(2)4(7-9)5(6)8/h3-4,7,9H,1-2H3,(H2,6,8)
InChIKeyZZPWKXKBZSPWHM-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.07
Rot. Bonds3

About 3-methyl-2-(sulfanylamino)butanamide

3-methyl-2-(sulfanylamino)butanamide (PubChem CID 166473642) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 3-methyl-2-(sulfanylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(sulfanylamino)butanamide
PubChem CID166473642
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name3-methyl-2-(sulfanylamino)butanamide
SMILESCC(C)C(NS)C(N)=O
InChIInChI=1S/C5H12N2OS/c1-3(2)4(7-9)5(6)8/h3-4,7,9H,1-2H3,(H2,6,8)
InChIKeyZZPWKXKBZSPWHM-UHFFFAOYSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
CID 89200284
2-(aminocarbamothioylamino)-3-methylbutanamide
CID 106346207
3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 118589539
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(sulfanylamino)butanamide?
The IUPAC name of 3-methyl-2-(sulfanylamino)butanamide (CID 166473642) is 3-methyl-2-(sulfanylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(sulfanylamino)butanamide?
The canonical SMILES for 3-methyl-2-(sulfanylamino)butanamide is CC(C)C(NS)C(N)=O.
What is the InChIKey of 3-methyl-2-(sulfanylamino)butanamide?
The InChIKey is ZZPWKXKBZSPWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-3(2)4(7-9)5(6)8/h3-4,7,9H,1-2H3,(H2,6,8).
What are the key properties of 3-methyl-2-(sulfanylamino)butanamide?
3-methyl-2-(sulfanylamino)butanamide has a molecular weight of 148.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(sulfanylamino)butanamide is sourced from PubChem (CID 166473642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).