4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine

C10H18ClNS — CID 103067973

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(C)(C)C1
InChIInChI=1S/C10H18ClNS/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3
InChIKeyQRISMKOMNVFZIK-UHFFFAOYSA-N
MW219.78 g/mol
LogP2.61
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine

4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine (PubChem CID 103067973) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
PubChem CID103067973
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(C)(C)C1
InChIInChI=1S/C10H18ClNS/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3
InChIKeyQRISMKOMNVFZIK-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

4-(4-Chlorobut-2-enyl)-2,6-dimethylthiomorpholine
CID 77051416
2-[2-(chloromethyl)prop-2-enylsulfanyl]-N,N-diethylethanamine
CID 103066320
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-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-ethylthiomorpholine
CID 103067972

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine (CID 103067973) is 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine is C=C(CCl)CN1CCSC(C)(C)C1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine?
The InChIKey is QRISMKOMNVFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNS/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine?
4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine has a molecular weight of 219.78 g/mol, XLogP of 2.61, 3 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]-2,2-dimethylthiomorpholine is sourced from PubChem (CID 103067973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).