2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide

C10H18N2O3S — CID 62378969

IUPAC2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCNC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-9-1-3-11-6-9)5-8-2-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyRHCOKSHMVFBGBT-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.71
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide

2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide (PubChem CID 62378969) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
PubChem CID62378969
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCNC1
InChIInChI=1S/C10H18N2O3S/c13-10(12-9-1-3-11-6-9)5-8-2-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyRHCOKSHMVFBGBT-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-(1,1-dioxothiolan-3-yl)-2-piperidin-4-ylacetamide
CID 24700012
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
1-(azepan-3-yl)-3-[(1,1-dioxothian-3-yl)methyl]urea
CID 117235156

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide (CID 62378969) is 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide is O=C(CC1CCS(=O)(=O)C1)NC1CCNC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is RHCOKSHMVFBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(12-9-1-3-11-6-9)5-8-2-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 246.33 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 62378969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).