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

C12H21NO3S — CID 18573526

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide
SMILESCCCCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-2-3-7-13(12(14)10-4-5-10)11-6-8-17(15,16)9-11/h10-11H,2-9H2,1H3
InChIKeyFLPOHAWCBUQQJK-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.21
Rot. Bonds5

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

N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide (PubChem CID 18573526) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide
PubChem CID18573526
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide
SMILESCCCCN(C(=O)C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-2-3-7-13(12(14)10-4-5-10)11-6-8-17(15,16)9-11/h10-11H,2-9H2,1H3
InChIKeyFLPOHAWCBUQQJK-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.21
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)cyclopropanecarboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide (CID 18573526) is N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide is CCCCN(C(=O)C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide?
The InChIKey is FLPOHAWCBUQQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-2-3-7-13(12(14)10-4-5-10)11-6-8-17(15,16)9-11/h10-11H,2-9H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)cyclopropanecarboxamide has a molecular weight of 259.37 g/mol, XLogP of 1.21, 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)cyclopropanecarboxamide is sourced from PubChem (CID 18573526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).