(2R)-2-methyl-3-sulfanylbutanamide

C5H11NOS — CID 177036922

IUPAC(2R)-2-methyl-3-sulfanylbutanamide
SMILESCC(S)[C@H](C)C(N)=O
InChIInChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7)/t3-,4?/m0/s1
InChIKeyKZTDJFQUWVYIFS-WUCPZUCCSA-N
MW133.22 g/mol
LogP0.43
Rot. Bonds2

About (2R)-2-methyl-3-sulfanylbutanamide

(2R)-2-methyl-3-sulfanylbutanamide (PubChem CID 177036922) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (2R)-2-methyl-3-sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-sulfanylbutanamide
PubChem CID177036922
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(2R)-2-methyl-3-sulfanylbutanamide
SMILESCC(S)[C@H](C)C(N)=O
InChIInChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7)/t3-,4?/m0/s1
InChIKeyKZTDJFQUWVYIFS-WUCPZUCCSA-N
XLogP0.43
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-sulfanylbutanamide
CID 87275807
2,3-dimethylbutanediamide
CID 55281411
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-fluoropropanamide
CID 129374964
2-aminopropanamide;ethane
CID 156828005
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
CID 54362580
2,3-dimethylhexanamide
CID 55291364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-sulfanylbutanamide?
The IUPAC name of (2R)-2-methyl-3-sulfanylbutanamide (CID 177036922) is (2R)-2-methyl-3-sulfanylbutanamide.
What is the SMILES notation for (2R)-2-methyl-3-sulfanylbutanamide?
The canonical SMILES for (2R)-2-methyl-3-sulfanylbutanamide is CC(S)[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-methyl-3-sulfanylbutanamide?
The InChIKey is KZTDJFQUWVYIFS-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3(4(2)8)5(6)7/h3-4,8H,1-2H3,(H2,6,7)/t3-,4?/m0/s1.
What are the key properties of (2R)-2-methyl-3-sulfanylbutanamide?
(2R)-2-methyl-3-sulfanylbutanamide has a molecular weight of 133.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-sulfanylbutanamide is sourced from PubChem (CID 177036922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).