N-methyl-2-sulfanylpropanamide

C4H9NOS — CID 20980427

IUPACN-methyl-2-sulfanylpropanamide
SMILESCNC(=O)C(C)S
InChIInChI=1S/C4H9NOS/c1-3(7)4(6)5-2/h3,7H,1-2H3,(H,5,6)
InChIKeyIVGSYODTNDNWIE-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.05
Rot. Bonds1

About N-methyl-2-sulfanylpropanamide

N-methyl-2-sulfanylpropanamide (PubChem CID 20980427) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-methyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-2-sulfanylpropanamide
PubChem CID20980427
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-methyl-2-sulfanylpropanamide
SMILESCNC(=O)C(C)S
InChIInChI=1S/C4H9NOS/c1-3(7)4(6)5-2/h3,7H,1-2H3,(H,5,6)
InChIKeyIVGSYODTNDNWIE-UHFFFAOYSA-N
XLogP0.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-sulfanylpropanamide?
The IUPAC name of N-methyl-2-sulfanylpropanamide (CID 20980427) is N-methyl-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-2-sulfanylpropanamide is CNC(=O)C(C)S.
What is the InChIKey of N-methyl-2-sulfanylpropanamide?
The InChIKey is IVGSYODTNDNWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3(7)4(6)5-2/h3,7H,1-2H3,(H,5,6).
What are the key properties of N-methyl-2-sulfanylpropanamide?
N-methyl-2-sulfanylpropanamide has a molecular weight of 119.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanylpropanamide is sourced from PubChem (CID 20980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).