(2S)-2-methyl-5-sulfanylpentanamide

C6H13NOS — CID 173149777

IUPAC(2S)-2-methyl-5-sulfanylpentanamide
SMILESC[C@@H](CCCS)C(N)=O
InChIInChI=1S/C6H13NOS/c1-5(6(7)8)3-2-4-9/h5,9H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyCLSLEEFVLFDYLQ-YFKPBYRVSA-N
MW147.24 g/mol
LogP0.82
Rot. Bonds4

About (2S)-2-methyl-5-sulfanylpentanamide

(2S)-2-methyl-5-sulfanylpentanamide (PubChem CID 173149777) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (2S)-2-methyl-5-sulfanylpentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-5-sulfanylpentanamide
PubChem CID173149777
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(2S)-2-methyl-5-sulfanylpentanamide
SMILESC[C@@H](CCCS)C(N)=O
InChIInChI=1S/C6H13NOS/c1-5(6(7)8)3-2-4-9/h5,9H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1
InChIKeyCLSLEEFVLFDYLQ-YFKPBYRVSA-N
XLogP0.82
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.82
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-methylhexanamide
CID 2828737
2-methylheptanamide;2-methylhexanamide
CID 160718848
(2S)-2-methyl-6-[(2-methyl-3-sulfanylpropanoyl)amino]hexanamide
CID 90324114
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-amino-2-methylbutanamide
CID 87412339
sodium;hydride;2-methyloctanamide
CID 174470127
4-bromo-2-methylbutanamide
CID 57350656
2-methylpentanediamide
CID 19688970
5-amino-2-methylhexanamide
CID 71433088
(2R)-2-methylpentanediamide
CID 90202517
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
(2S)-N'-hydroxy-2-methylhexanediamide
CID 173132567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-sulfanylpentanamide?
The IUPAC name of (2S)-2-methyl-5-sulfanylpentanamide (CID 173149777) is (2S)-2-methyl-5-sulfanylpentanamide.
What is the SMILES notation for (2S)-2-methyl-5-sulfanylpentanamide?
The canonical SMILES for (2S)-2-methyl-5-sulfanylpentanamide is C[C@@H](CCCS)C(N)=O.
What is the InChIKey of (2S)-2-methyl-5-sulfanylpentanamide?
The InChIKey is CLSLEEFVLFDYLQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(6(7)8)3-2-4-9/h5,9H,2-4H2,1H3,(H2,7,8)/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-5-sulfanylpentanamide?
(2S)-2-methyl-5-sulfanylpentanamide has a molecular weight of 147.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-sulfanylpentanamide is sourced from PubChem (CID 173149777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).