N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide

C14H25NO3S — CID 18573528

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c1-2-3-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-5-7-12/h12-13H,2-11H2,1H3
InChIKeyLLAAMMRIWLIFPF-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.99
Rot. Bonds5

About N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide

N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide (PubChem CID 18573528) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide
PubChem CID18573528
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S/c1-2-3-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-5-7-12/h12-13H,2-11H2,1H3
InChIKeyLLAAMMRIWLIFPF-UHFFFAOYSA-N
XLogP1.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide (CID 18573528) is N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide is CCCCN(C(=O)C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide?
The InChIKey is LLAAMMRIWLIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-3-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-5-7-12/h12-13H,2-11H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide has a molecular weight of 287.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 18573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).