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

C14H18N4O2S2 — CID 9031788

IUPAC(3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](N2CCN(c3ncnc4sccc34)CC2)C1
InChIInChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)13-12-1-7-21-14(12)16-10-15-13/h1,7,10-11H,2-6,8-9H2/t11-/m0/s1
InChIKeyVNSSTKGHLWDXIC-NSHDSACASA-N
MW338.46 g/mol
LogP1.00
Rot. Bonds2

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

(3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 9031788) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID9031788
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name(3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](N2CCN(c3ncnc4sccc34)CC2)C1
InChIInChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)13-12-1-7-21-14(12)16-10-15-13/h1,7,10-11H,2-6,8-9H2/t11-/m0/s1
InChIKeyVNSSTKGHLWDXIC-NSHDSACASA-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

Analyze (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide with MolForge

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Related Compounds

(3R)-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide
CID 97310494
3-[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383491
3-[4-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 72876549
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
(3R)-3-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 96546104
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide (CID 9031788) is (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CC[C@H](N2CCN(c3ncnc4sccc34)CC2)C1.
What is the InChIKey of (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is VNSSTKGHLWDXIC-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2S2/c19-22(20)8-2-11(9-22)17-3-5-18(6-4-17)13-12-1-7-21-14(12)16-10-15-13/h1,7,10-11H,2-6,8-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide?
(3S)-3-(4-thieno[2,3-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 (3S)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 9031788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).