N-methyl-3-sulfanylpyrrolidine-1-carboxamide

C6H12N2OS — CID 19751238

IUPACN-methyl-3-sulfanylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(S)C1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-3-2-5(10)4-8/h5,10H,2-4H2,1H3,(H,7,9)
InChIKeyHNRYKSAVDRWPIT-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.33
Rot. Bonds

About N-methyl-3-sulfanylpyrrolidine-1-carboxamide

N-methyl-3-sulfanylpyrrolidine-1-carboxamide (PubChem CID 19751238) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-methyl-3-sulfanylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-sulfanylpyrrolidine-1-carboxamide
PubChem CID19751238
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-methyl-3-sulfanylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(S)C1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-3-2-5(10)4-8/h5,10H,2-4H2,1H3,(H,7,9)
InChIKeyHNRYKSAVDRWPIT-UHFFFAOYSA-N
XLogP0.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.33
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-3-sulfanylpyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-sulfanylpyrrolidine-1-carboxamide (CID 19751238) is N-methyl-3-sulfanylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-sulfanylpyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-sulfanylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(S)C1.
What is the InChIKey of N-methyl-3-sulfanylpyrrolidine-1-carboxamide?
The InChIKey is HNRYKSAVDRWPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-7-6(9)8-3-2-5(10)4-8/h5,10H,2-4H2,1H3,(H,7,9).
What are the key properties of N-methyl-3-sulfanylpyrrolidine-1-carboxamide?
N-methyl-3-sulfanylpyrrolidine-1-carboxamide has a molecular weight of 160.24 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-sulfanylpyrrolidine-1-carboxamide is sourced from PubChem (CID 19751238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).