4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine

C8H11ClN2O4S4 — CID 66382849

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S4/c1-18(12,13)6-5-16-3-2-11(6)19(14,15)7-4-10-8(9)17-7/h4,6H,2-3,5H2,1H3
InChIKeyQDXCBBOQCUUICK-UHFFFAOYSA-N
MW362.91 g/mol
LogP0.90
Rot. Bonds3

About 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine (PubChem CID 66382849) has the molecular formula C8H11ClN2O4S4 and a molecular weight of 362.91 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
PubChem CID66382849
Molecular FormulaC8H11ClN2O4S4
Molecular Weight362.91 g/mol
Exact Mass361.93
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S4/c1-18(12,13)6-5-16-3-2-11(6)19(14,15)7-4-10-8(9)17-7/h4,6H,2-3,5H2,1H3
InChIKeyQDXCBBOQCUUICK-UHFFFAOYSA-N
XLogP0.90
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine (CID 66382849) is 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine?
The InChIKey is QDXCBBOQCUUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S4/c1-18(12,13)6-5-16-3-2-11(6)19(14,15)7-4-10-8(9)17-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine has a molecular weight of 362.91 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66382849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).