(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide

C14H18N4O2S2 — CID 97310494

IUPAC(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](N2CCN(c3ncnc4ccsc34)CC2)C1
InChIInChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)14-13-12(1-7-21-13)15-10-16-14/h1,7,10-11H,2-6,8-9H2/t11-/m1/s1
InChIKeySHPSUMYPKVYKEO-LLVKDONJSA-N
MW338.46 g/mol
LogP1.00
Rot. Bonds2

About (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide

(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 97310494) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID97310494
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](N2CCN(c3ncnc4ccsc34)CC2)C1
InChIInChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)14-13-12(1-7-21-13)15-10-16-14/h1,7,10-11H,2-6,8-9H2/t11-/m1/s1
InChIKeySHPSUMYPKVYKEO-LLVKDONJSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide (CID 97310494) is (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CC[C@@H](N2CCN(c3ncnc4ccsc34)CC2)C1.
What is the InChIKey of (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is SHPSUMYPKVYKEO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)14-13-12(1-7-21-13)15-10-16-14/h1,7,10-11H,2-6,8-9H2/t11-/m1/s1.
What are the key properties of (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 338.46 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 97310494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).