2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide

C11H14ClN3O2S2 — CID 114268369

IUPAC2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
SMILESCC1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CCS1
InChIInChI=1S/C11H14ClN3O2S2/c1-7-6-15(3-4-18-7)10-9-8(13-11(12)14-10)2-5-19(9,16)17/h7H,2-6H2,1H3
InChIKeyPYEVFJDITFDNMF-UHFFFAOYSA-N
MW319.84 g/mol
LogP1.40
Rot. Bonds1

About 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide

2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide (PubChem CID 114268369) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide.

Molecular Properties

Compound Name2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
PubChem CID114268369
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide
SMILESCC1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CCS1
InChIInChI=1S/C11H14ClN3O2S2/c1-7-6-15(3-4-18-7)10-9-8(13-11(12)14-10)2-5-19(9,16)17/h7H,2-6H2,1H3
InChIKeyPYEVFJDITFDNMF-UHFFFAOYSA-N
XLogP1.40
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The IUPAC name of 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide (CID 114268369) is 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide.
What is the SMILES notation for 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The canonical SMILES for 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide is CC1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CCS1.
What is the InChIKey of 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
The InChIKey is PYEVFJDITFDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-7-6-15(3-4-18-7)10-9-8(13-11(12)14-10)2-5-19(9,16)17/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide?
2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide has a molecular weight of 319.84 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylthiomorpholin-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide is sourced from PubChem (CID 114268369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).