2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine

C8H16ClNO2S — CID 103067915

IUPAC2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C8H16ClNO2S/c1-8(6-9)7-10(2)4-5-13(3,11)12/h1,4-7H2,2-3H3
InChIKeyAIONVMATAXWOOB-UHFFFAOYSA-N
MW225.74 g/mol
LogP0.76
Rot. Bonds6

About 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine

2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine (PubChem CID 103067915) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine
PubChem CID103067915
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine
SMILESC=C(CCl)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C8H16ClNO2S/c1-8(6-9)7-10(2)4-5-13(3,11)12/h1,4-7H2,2-3H3
InChIKeyAIONVMATAXWOOB-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 50.76
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-chloro-N-ethyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
CID 43653919
3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
CID 79580366
4-chloro-N-methyl-N-(2-methylsulfonylethyl)but-2-en-1-amine
CID 79849679
3-chloro-N,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 79849947
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]-3-methylsulfonylthiomorpholine
CID 103067902
4-[2-(Chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
CID 103067903
2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 103067949
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
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 106437538

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine (CID 103067915) is 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine is C=C(CCl)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine?
The InChIKey is AIONVMATAXWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-8(6-9)7-10(2)4-5-13(3,11)12/h1,4-7H2,2-3H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine?
2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine has a molecular weight of 225.74 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)prop-2-en-1-amine is sourced from PubChem (CID 103067915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).