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

C9H16N2O3S — CID 47127958

IUPACN-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C9H16N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h8H,1-7H2,(H,10,12)
InChIKeyMLWWFAAHUUFPJW-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.02
Rot. Bonds1

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

N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47127958) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
PubChem CID47127958
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C9H16N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h8H,1-7H2,(H,10,12)
InChIKeyMLWWFAAHUUFPJW-UHFFFAOYSA-N
XLogP-0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95271977
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
N-(1,1-dioxothiolan-3-yl)azepane-1-carbothioamide
CID 2906191
N-(1,1-dioxothiolan-3-yl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105920
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 51083433
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923190
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide (CID 47127958) is N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)N1CCCC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MLWWFAAHUUFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c12-9(11-4-1-2-5-11)10-8-3-6-15(13,14)7-8/h8H,1-7H2,(H,10,12).
What are the key properties of N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47127958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).