4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine

C10H18ClNO2S2 — CID 103067903

IUPAC4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
SMILESC=C(CCl)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C10H18ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeyRRGDTVMPFLHIQB-UHFFFAOYSA-N
MW283.85 g/mol
LogP1.59
Rot. Bonds5

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

4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine (PubChem CID 103067903) has the molecular formula C10H18ClNO2S2 and a molecular weight of 283.85 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
PubChem CID103067903
Molecular FormulaC10H18ClNO2S2
Molecular Weight283.85 g/mol
Exact Mass283.05
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine
SMILESC=C(CCl)CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C10H18ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeyRRGDTVMPFLHIQB-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine (CID 103067903) is 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine is C=C(CCl)CN1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine?
The InChIKey is RRGDTVMPFLHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h10H,2-8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine?
4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine has a molecular weight of 283.85 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)prop-2-enyl]-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 103067903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).