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

C11H20ClNO2S — CID 78823523

IUPACN-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CN(CCCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20ClNO2S/c1-3-4-6-13(8-10(2)12)11-5-7-16(14,15)9-11/h11H,2-9H2,1H3
InChIKeyZCWGRXSGRKZAGW-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.03
Rot. Bonds6

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

N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine (PubChem CID 78823523) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
PubChem CID78823523
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC NameN-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
SMILESC=C(Cl)CN(CCCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20ClNO2S/c1-3-4-6-13(8-10(2)12)11-5-7-16(14,15)9-11/h11H,2-9H2,1H3
InChIKeyZCWGRXSGRKZAGW-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine (CID 78823523) is N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine is C=C(Cl)CN(CCCC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
The InChIKey is ZCWGRXSGRKZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c1-3-4-6-13(8-10(2)12)11-5-7-16(14,15)9-11/h11H,2-9H2,1H3.
What are the key properties of N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine?
N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine has a molecular weight of 265.81 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 78823523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).