4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C9H16ClNO2S — CID 103067995

IUPAC4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC=C(CCl)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H16ClNO2S/c1-8(5-10)6-11-3-4-14(12,13)7-9(11)2/h9H,1,3-7H2,2H3
InChIKeyRPXAZRAYMJGUBR-UHFFFAOYSA-N
MW237.75 g/mol
LogP0.90
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 103067995) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID103067995
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC=C(CCl)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H16ClNO2S/c1-8(5-10)6-11-3-4-14(12,13)7-9(11)2/h9H,1,3-7H2,2H3
InChIKeyRPXAZRAYMJGUBR-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 50.90
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

3,3,5,5-Tetramethyl-4-(2-methylprop-2-enyl)-1,4-thiazinane 1,1-dioxide
CID 21394490
4-(2-Chloroprop-2-enyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 72004901
N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
CID 84591207
4-(3-Chloropropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885894
4-(3-Chloro-2-methylpropyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885923
4-[(E)-4-chlorobut-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885933
4-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 103067657
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 103067668
4-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazinane 1-oxide
CID 103067732
4-[2-(Chloromethyl)prop-2-enyl]-3-methylthiomorpholine
CID 103067875
4-[2-(Chloromethyl)prop-2-enyl]-3-methylsulfonylthiomorpholine
CID 103067902
4-[2-(Chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
CID 103067903

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 103067995) is 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide is C=C(CCl)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is RPXAZRAYMJGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-8(5-10)6-11-3-4-14(12,13)7-9(11)2/h9H,1,3-7H2,2H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[2-(chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 237.75 g/mol, XLogP of 0.90, 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]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 103067995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).