4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C17H18N4O2S2 — CID 9109711

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,12-14-4-2-1-3-5-14)21-9-7-20(8-10-21)16-15-6-11-24-17(15)19-13-18-16/h1-6,11,13H,7-10,12H2
InChIKeyDTJKUVFOMRNWDV-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.34
Rot. Bonds4

About 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine

4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 9109711) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID9109711
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,12-14-4-2-1-3-5-14)21-9-7-20(8-10-21)16-15-6-11-24-17(15)19-13-18-16/h1-6,11,13H,7-10,12H2
InChIKeyDTJKUVFOMRNWDV-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
4-(4-benzylsulfonylpiperazin-1-yl)-6-bromoquinazoline
CID 87020756
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 35885094
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 78847044
2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 9109711) is 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine is O=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is DTJKUVFOMRNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-25(23,12-14-4-2-1-3-5-14)21-9-7-20(8-10-21)16-15-6-11-24-17(15)19-13-18-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 374.49 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).