4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine

C10H11ClF3N3O2S2 — CID 106768032

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(11)15-9(16-7)10(12,13)14/h4,8H,2-3,5H2,1H3
InChIKeySHZJADPNNWWWKQ-UHFFFAOYSA-N
MW361.80 g/mol
LogP2.07
Rot. Bonds2

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine (PubChem CID 106768032) has the molecular formula C10H11ClF3N3O2S2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine
PubChem CID106768032
Molecular FormulaC10H11ClF3N3O2S2
Molecular Weight361.80 g/mol
Exact Mass360.99
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(11)15-9(16-7)10(12,13)14/h4,8H,2-3,5H2,1H3
InChIKeySHZJADPNNWWWKQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine (CID 106768032) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine?
The InChIKey is SHZJADPNNWWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(11)15-9(16-7)10(12,13)14/h4,8H,2-3,5H2,1H3.
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine has a molecular weight of 361.80 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 106768032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).