1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide

C9H16N2O3S — CID 117008143

IUPAC1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H16N2O3S/c10-9(12)7-1-3-11(5-7)8-2-4-15(13,14)6-8/h7-8H,1-6H2,(H2,10,12)
InChIKeyBLIHUZHNLBEZDD-UHFFFAOYSA-N
MW232.30 g/mol
LogP-1.02
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 117008143) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
PubChem CID117008143
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C9H16N2O3S/c10-9(12)7-1-3-11(5-7)8-2-4-15(13,14)6-8/h7-8H,1-6H2,(H2,10,12)
InChIKeyBLIHUZHNLBEZDD-UHFFFAOYSA-N
XLogP-1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
4-(1,1-dioxothiolan-3-yl)-N'-hydroxymorpholine-2-carboximidamide
CID 79681148
(3S)-1-piperidin-4-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 162316129
(3S)-1-[1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95577778
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide (CID 117008143) is 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is BLIHUZHNLBEZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-9(12)7-1-3-11(5-7)8-2-4-15(13,14)6-8/h7-8H,1-6H2,(H2,10,12).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).