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

C8H14ClNO2S — CID 63923343

IUPACN-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine
SMILESC=C(Cl)CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H14ClNO2S/c1-7(9)5-10-8-3-2-4-13(11,12)6-8/h8,10H,1-6H2
InChIKeyJFXUGOCRURJFEE-UHFFFAOYSA-N
MW223.72 g/mol
LogP0.91
Rot. Bonds3

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

N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine (PubChem CID 63923343) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine
PubChem CID63923343
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC NameN-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine
SMILESC=C(Cl)CNC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H14ClNO2S/c1-7(9)5-10-8-3-2-4-13(11,12)6-8/h8,10H,1-6H2
InChIKeyJFXUGOCRURJFEE-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.91
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-dioxothian-3-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine (CID 63923343) is N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine is C=C(Cl)CNC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine?
The InChIKey is JFXUGOCRURJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-7(9)5-10-8-3-2-4-13(11,12)6-8/h8,10H,1-6H2.
What are the key properties of N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine?
N-(2-chloroprop-2-enyl)-1,1-dioxothian-3-amine has a molecular weight of 223.72 g/mol, XLogP of 0.91, 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-dioxothian-3-amine is sourced from PubChem (CID 63923343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).