4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide

C8H14ClNO2S — CID 103067657

IUPAC4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(CCl)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14ClNO2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h1-7H2
InChIKeySCILPVHQFVBVGG-UHFFFAOYSA-N
MW223.72 g/mol
LogP0.51
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide

4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 103067657) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID103067657
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(CCl)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14ClNO2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h1-7H2
InChIKeySCILPVHQFVBVGG-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-4-chlorobut-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 64680009
4-(4-Chlorobut-2-enyl)-1,4-thiazinane 1,1-dioxide
CID 77051081
4-[2-(Chloromethyl)prop-2-enyl]thiomorpholine
CID 103067618
4-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide
CID 103067732
4-[2-(Chloromethyl)prop-2-enyl]-3-methylsulfonylthiomorpholine
CID 103067902
4-[2-(Chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
CID 103067903
2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine
CID 103067915
4-[2-(Chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103067995
4-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazepane 1,1-dioxide
CID 105563284
4-[(E)-3-chloroprop-2-enyl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 131234739

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide (CID 103067657) is 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide is C=C(CCl)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SCILPVHQFVBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c1-8(6-9)7-10-2-4-13(11,12)5-3-10/h1-7H2.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 223.72 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 103067657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).