N-methyl-N-sulfanylpropanamide

C4H9NOS — CID 88938325

IUPACN-methyl-N-sulfanylpropanamide
SMILESCCC(=O)N(C)S
InChIInChI=1S/C4H9NOS/c1-3-4(6)5(2)7/h7H,3H2,1-2H3
InChIKeyRYJVXCONQYBKGW-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.70
Rot. Bonds1

About N-methyl-N-sulfanylpropanamide

N-methyl-N-sulfanylpropanamide (PubChem CID 88938325) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-methyl-N-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-sulfanylpropanamide
PubChem CID88938325
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-methyl-N-sulfanylpropanamide
SMILESCCC(=O)N(C)S
InChIInChI=1S/C4H9NOS/c1-3-4(6)5(2)7/h7H,3H2,1-2H3
InChIKeyRYJVXCONQYBKGW-UHFFFAOYSA-N
XLogP0.70
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-N-sulfanylpropanamide?
The IUPAC name of N-methyl-N-sulfanylpropanamide (CID 88938325) is N-methyl-N-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-sulfanylpropanamide is CCC(=O)N(C)S.
What is the InChIKey of N-methyl-N-sulfanylpropanamide?
The InChIKey is RYJVXCONQYBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3-4(6)5(2)7/h7H,3H2,1-2H3.
What are the key properties of N-methyl-N-sulfanylpropanamide?
N-methyl-N-sulfanylpropanamide has a molecular weight of 119.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfanylpropanamide is sourced from PubChem (CID 88938325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).