(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide

C7H15NOS2 — CID 72947096

IUPAC(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
SMILESCSCCNC(=O)[C@H](C)CS
InChIInChI=1S/C7H15NOS2/c1-6(5-10)7(9)8-3-4-11-2/h6,10H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyYVFIXRNAZCTRJX-ZCFIWIBFSA-N
MW193.34 g/mol
LogP1.03
Rot. Bonds5

About (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide

(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide (PubChem CID 72947096) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
PubChem CID72947096
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
SMILESCSCCNC(=O)[C@H](C)CS
InChIInChI=1S/C7H15NOS2/c1-6(5-10)7(9)8-3-4-11-2/h6,10H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyYVFIXRNAZCTRJX-ZCFIWIBFSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide?
The IUPAC name of (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide (CID 72947096) is (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide.
What is the SMILES notation for (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide?
The canonical SMILES for (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide is CSCCNC(=O)[C@H](C)CS.
What is the InChIKey of (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide?
The InChIKey is YVFIXRNAZCTRJX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-6(5-10)7(9)8-3-4-11-2/h6,10H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide?
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide has a molecular weight of 193.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 72947096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).