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

C8H14ClNS — CID 103067618

IUPAC4-[2-(chloromethyl)prop-2-enyl]thiomorpholine
SMILESC=C(CCl)CN1CCSCC1
InChIInChI=1S/C8H14ClNS/c1-8(6-9)7-10-2-4-11-5-3-10/h1-7H2
InChIKeyDQSPERCZNMRNMD-UHFFFAOYSA-N
MW191.73 g/mol
LogP1.83
Rot. Bonds3

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

4-[2-(chloromethyl)prop-2-enyl]thiomorpholine (PubChem CID 103067618) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]thiomorpholine
PubChem CID103067618
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]thiomorpholine
SMILESC=C(CCl)CN1CCSCC1
InChIInChI=1S/C8H14ClNS/c1-8(6-9)7-10-2-4-11-5-3-10/h1-7H2
InChIKeyDQSPERCZNMRNMD-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 51.83
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-[2-(Chloromethyl)prop-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 103067657
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
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
4-[2-(Chloromethyl)prop-2-enyl]-2,2-dimethylthiomorpholine
CID 103067973
4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylthiomorpholine
CID 116406312
4-[(E)-3-chloroprop-2-enyl]-2,6-dimethylthiomorpholine
CID 131236978
4-[(E)-3-chloroprop-2-enyl]-2,2-dimethylthiomorpholine
CID 131240930

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine (CID 103067618) is 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine is C=C(CCl)CN1CCSCC1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine?
The InChIKey is DQSPERCZNMRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNS/c1-8(6-9)7-10-2-4-11-5-3-10/h1-7H2.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]thiomorpholine?
4-[2-(chloromethyl)prop-2-enyl]thiomorpholine has a molecular weight of 191.73 g/mol, XLogP of 1.83, 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]thiomorpholine is sourced from PubChem (CID 103067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).