4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine

C10H18ClNS — CID 103067971

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(C)C1C
InChIInChI=1S/C10H18ClNS/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7H2,2-3H3
InChIKeyRWHUKQNUGPKQQJ-UHFFFAOYSA-N
MW219.78 g/mol
LogP2.61
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine

4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine (PubChem CID 103067971) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine
PubChem CID103067971
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine
SMILESC=C(CCl)CN1CCSC(C)C1C
InChIInChI=1S/C10H18ClNS/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7H2,2-3H3
InChIKeyRWHUKQNUGPKQQJ-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine (CID 103067971) is 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine is C=C(CCl)CN1CCSC(C)C1C.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine?
The InChIKey is RWHUKQNUGPKQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNS/c1-8(6-11)7-12-4-5-13-10(3)9(12)2/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2,3-dimethylthiomorpholine?
4-[2-(chloromethyl)prop-2-enyl]-2,3-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]-2,3-dimethylthiomorpholine is sourced from PubChem (CID 103067971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).