N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide

C9H14N2O3S — CID 115583168

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C9H14N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h3,6,8H,1-2,4-5,7H2,(H,10,12)
InChIKeyDAGPCFDXUAJHCT-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.10
Rot. Bonds1

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide (PubChem CID 115583168) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide
PubChem CID115583168
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C9H14N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h3,6,8H,1-2,4-5,7H2,(H,10,12)
InChIKeyDAGPCFDXUAJHCT-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81123403
1-(azepan-1-yl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]ethanone
CID 60694047
1-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclobutane-1-carboxamide
CID 81168828
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978485
1-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)cyclopentane-1-carboxamide
CID 60704821
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxoacetamide
CID 56875756
1-cyclohexyl-3-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]thiourea
CID 2000352
1-cyclohexyl-3-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]thiourea
CID 2000353
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801707

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide (CID 115583168) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide is O=C(NC1C=CS(=O)(=O)C1)N1CCCC1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is DAGPCFDXUAJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h3,6,8H,1-2,4-5,7H2,(H,10,12).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115583168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).