N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide

C11H19NO3S — CID 18573527

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-12(10-6-7-16(14,15)8-10)11(13)9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyKRQURFNCMPDPRK-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.82
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide

N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide (PubChem CID 18573527) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide
PubChem CID18573527
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide
SMILESCN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S/c1-12(10-6-7-16(14,15)8-10)11(13)9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyKRQURFNCMPDPRK-UHFFFAOYSA-N
XLogP0.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide (CID 18573527) is N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide is CN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide?
The InChIKey is KRQURFNCMPDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-12(10-6-7-16(14,15)8-10)11(13)9-4-2-3-5-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide has a molecular weight of 245.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 18573527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).