methanethiol;pyrrolidine-1-carboxamide

C6H14N2OS — CID 155736349

IUPACmethanethiol;pyrrolidine-1-carboxamide
SMILESCS.NC(=O)N1CCCC1
InChIInChI=1S/C5H10N2O.CH4S/c6-5(8)7-3-1-2-4-7;1-2/h1-4H2,(H2,6,8);2H,1H3
InChIKeySBHCFAMLWHSBQS-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.71
Rot. Bonds

About methanethiol;pyrrolidine-1-carboxamide

methanethiol;pyrrolidine-1-carboxamide (PubChem CID 155736349) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is methanethiol;pyrrolidine-1-carboxamide.

Molecular Properties

Compound Namemethanethiol;pyrrolidine-1-carboxamide
PubChem CID155736349
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Namemethanethiol;pyrrolidine-1-carboxamide
SMILESCS.NC(=O)N1CCCC1
InChIInChI=1S/C5H10N2O.CH4S/c6-5(8)7-3-1-2-4-7;1-2/h1-4H2,(H2,6,8);2H,1H3
InChIKeySBHCFAMLWHSBQS-UHFFFAOYSA-N
XLogP0.71
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.71
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

ethane;pyrrolidine-1-carboxamide
CID 144643607
ethane;piperidine-1-carboxamide
CID 176963561
lithium;hydride;pyrrolidine-1-carboxamide
CID 173065228
pyrazine;pyrrolidine-1-carboxamide
CID 68904578
3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
CID 68551332
3-methylpiperidine-1-carboxamide
CID 16786142
aziridine;aziridine-1-carboxamide
CID 157196797
4-sulfanylpiperidine-1-carboxamide
CID 165469353
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
2-oxo-2-piperidin-1-ylacetamide
CID 22394328
8-aminooctanoic acid;pyrrolidine-1-carboxamide;hydrochloride
CID 67562559
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661

Frequently Asked Questions

What is the IUPAC name of methanethiol;pyrrolidine-1-carboxamide?
The IUPAC name of methanethiol;pyrrolidine-1-carboxamide (CID 155736349) is methanethiol;pyrrolidine-1-carboxamide.
What is the SMILES notation for methanethiol;pyrrolidine-1-carboxamide?
The canonical SMILES for methanethiol;pyrrolidine-1-carboxamide is CS.NC(=O)N1CCCC1.
What is the InChIKey of methanethiol;pyrrolidine-1-carboxamide?
The InChIKey is SBHCFAMLWHSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.CH4S/c6-5(8)7-3-1-2-4-7;1-2/h1-4H2,(H2,6,8);2H,1H3.
What are the key properties of methanethiol;pyrrolidine-1-carboxamide?
methanethiol;pyrrolidine-1-carboxamide has a molecular weight of 162.26 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;pyrrolidine-1-carboxamide is sourced from PubChem (CID 155736349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).