1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide

C8H14N2O2S — CID 76688417

IUPAC1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CCS
InChIInChI=1S/C8H14N2O2S/c9-8(12)6-2-1-4-10(6)7(11)3-5-13/h6,13H,1-5H2,(H2,9,12)
InChIKeyFVFNUBHFTUSJBP-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.22
Rot. Bonds3

About 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide

1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 76688417) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID76688417
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CCS
InChIInChI=1S/C8H14N2O2S/c9-8(12)6-2-1-4-10(6)7(11)3-5-13/h6,13H,1-5H2,(H2,9,12)
InChIKeyFVFNUBHFTUSJBP-UHFFFAOYSA-N
XLogP-0.22
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-propanoylpiperidine-2-carboxamide
CID 60717244
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590

Frequently Asked Questions

What is the IUPAC name of 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide (CID 76688417) is 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CCS.
What is the InChIKey of 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is FVFNUBHFTUSJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-8(12)6-2-1-4-10(6)7(11)3-5-13/h6,13H,1-5H2,(H2,9,12).
What are the key properties of 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide?
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 202.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 76688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).