2-propan-2-ylthiomorpholine-4-sulfonyl chloride

C7H14ClNO2S2 — CID 165491191

IUPAC2-propan-2-ylthiomorpholine-4-sulfonyl chloride
SMILESCC(C)C1CN(S(=O)(=O)Cl)CCS1
InChIInChI=1S/C7H14ClNO2S2/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOBPDBQYOIOMNIH-UHFFFAOYSA-N
MW243.78 g/mol
LogP1.54
Rot. Bonds2

About 2-propan-2-ylthiomorpholine-4-sulfonyl chloride

2-propan-2-ylthiomorpholine-4-sulfonyl chloride (PubChem CID 165491191) has the molecular formula C7H14ClNO2S2 and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-propan-2-ylthiomorpholine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-ylthiomorpholine-4-sulfonyl chloride
PubChem CID165491191
Molecular FormulaC7H14ClNO2S2
Molecular Weight243.78 g/mol
Exact Mass243.02
IUPAC Name2-propan-2-ylthiomorpholine-4-sulfonyl chloride
SMILESCC(C)C1CN(S(=O)(=O)Cl)CCS1
InChIInChI=1S/C7H14ClNO2S2/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3
InChIKeyOBPDBQYOIOMNIH-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiomorpholine-4-sulfonyl chloride?
The IUPAC name of 2-propan-2-ylthiomorpholine-4-sulfonyl chloride (CID 165491191) is 2-propan-2-ylthiomorpholine-4-sulfonyl chloride.
What is the SMILES notation for 2-propan-2-ylthiomorpholine-4-sulfonyl chloride?
The canonical SMILES for 2-propan-2-ylthiomorpholine-4-sulfonyl chloride is CC(C)C1CN(S(=O)(=O)Cl)CCS1.
What is the InChIKey of 2-propan-2-ylthiomorpholine-4-sulfonyl chloride?
The InChIKey is OBPDBQYOIOMNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S2/c1-6(2)7-5-9(3-4-12-7)13(8,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylthiomorpholine-4-sulfonyl chloride?
2-propan-2-ylthiomorpholine-4-sulfonyl chloride has a molecular weight of 243.78 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiomorpholine-4-sulfonyl chloride is sourced from PubChem (CID 165491191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).