4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide

C8H14ClNO2S — CID 131234739

IUPAC4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C/C=C/Cl)CCS1(=O)=O
InChIInChI=1S/C8H14ClNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNDSIBVGSXZSGJU-NSCUHMNNSA-N
MW223.72 g/mol
LogP0.86
Rot. Bonds2

About 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide

4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 131234739) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID131234739
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(C/C=C/Cl)CCS1(=O)=O
InChIInChI=1S/C8H14ClNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNDSIBVGSXZSGJU-NSCUHMNNSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide (CID 131234739) is 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide is CC1CN(C/C=C/Cl)CCS1(=O)=O.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NDSIBVGSXZSGJU-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide?
4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 223.72 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 131234739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).