4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine

C10H18ClNS — CID 103067972

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(CC)C1
InChIInChI=1S/C10H18ClNS/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeyJQSBJXYSLSMPLF-UHFFFAOYSA-N
MW219.78 g/mol
LogP2.61
Rot. Bonds4

About 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine

4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine (PubChem CID 103067972) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine
PubChem CID103067972
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(CC)C1
InChIInChI=1S/C10H18ClNS/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeyJQSBJXYSLSMPLF-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[2-(chloromethyl)prop-2-enylsulfanyl]-N,N-diethylethanamine
CID 103066320
2-[2-(chloromethyl)prop-2-enylsulfanyl]-N,N-dimethylethanamine
CID 103066325
4-[2-(Chloromethyl)prop-2-enyl]thiomorpholine
CID 103067618
4-[2-(Chloromethyl)prop-2-enyl]-3-methylthiomorpholine
CID 103067875
4-[2-(Chloromethyl)prop-2-enyl]-2,6-dimethylthiomorpholine
CID 103067877
2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 103067949
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 103067951
4-[2-(Chloromethyl)prop-2-enyl]-2-methylthiomorpholine
CID 103067968
4-[2-(Chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine
CID 103067971
4-[2-(Chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
CID 103067973
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 103067974

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine (CID 103067972) is 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine is C=C(CCl)CN1CCSC(CC)C1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine?
The InChIKey is JQSBJXYSLSMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNS/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine?
4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine has a molecular weight of 219.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)prop-2-enyl]-2-ethylthiomorpholine is sourced from PubChem (CID 103067972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).