N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine

C7H12ClNO2S — CID 60683242

IUPACN-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12ClNO2S/c1-6(8)4-9-7-2-3-12(10,11)5-7/h7,9H,1-5H2
InChIKeyMNVNAZPDUPUNHX-UHFFFAOYSA-N
MW209.70 g/mol
LogP0.52
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine

N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine (PubChem CID 60683242) has the molecular formula C7H12ClNO2S and a molecular weight of 209.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
PubChem CID60683242
Molecular FormulaC7H12ClNO2S
Molecular Weight209.70 g/mol
Exact Mass209.03
IUPAC NameN-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H12ClNO2S/c1-6(8)4-9-7-2-3-12(10,11)5-7/h7,9H,1-5H2
InChIKeyMNVNAZPDUPUNHX-UHFFFAOYSA-N
XLogP0.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine (CID 60683242) is N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine is C=C(Cl)CNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The InChIKey is MNVNAZPDUPUNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2S/c1-6(8)4-9-7-2-3-12(10,11)5-7/h7,9H,1-5H2.
What are the key properties of N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine has a molecular weight of 209.70 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60683242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).