4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine

C10H20ClNO2S2 — CID 66375584

IUPAC4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)CCl
InChIInChI=1S/C10H20ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h9-10H,3-8H2,1-2H3
InChIKeyCJQYJJUQMBRQPV-UHFFFAOYSA-N
MW285.86 g/mol
LogP1.67
Rot. Bonds5

About 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine

4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66375584) has the molecular formula C10H20ClNO2S2 and a molecular weight of 285.86 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine
PubChem CID66375584
Molecular FormulaC10H20ClNO2S2
Molecular Weight285.86 g/mol
Exact Mass285.06
IUPAC Name4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)CCl
InChIInChI=1S/C10H20ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h9-10H,3-8H2,1-2H3
InChIKeyCJQYJJUQMBRQPV-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine (CID 66375584) is 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CC(C)CCl.
What is the InChIKey of 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is CJQYJJUQMBRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S2/c1-3-16(13,14)10-8-15-5-4-12(10)7-9(2)6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine?
4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 285.86 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66375584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).