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

C10H18N2O3S — CID 115629618

IUPACN-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-5-1-2-6-12)11-9-4-3-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyWKGYOLPWCRBLSC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.37
Rot. Bonds1

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

N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide (PubChem CID 115629618) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
PubChem CID115629618
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-5-1-2-6-12)11-9-4-3-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)
InChIKeyWKGYOLPWCRBLSC-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95271977
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
1-[(1,1-dioxothian-3-yl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63923768
N-cycloheptyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109610
N-cyclopropyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 115608976
(3aS,6aR)-2-[(1,1-dioxothian-3-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122008854
N-(1,1-dioxothiolan-3-yl)azepane-1-carbothioamide
CID 2906191

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide (CID 115629618) is N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCS(=O)(=O)C1)N1CCCC1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is WKGYOLPWCRBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(12-5-1-2-6-12)11-9-4-3-7-16(14,15)8-9/h9H,1-8H2,(H,11,13).
What are the key properties of N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide?
N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115629618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).