4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

C21H24N4O2S2 — CID 18190429

IUPAC4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c2c1C
InChIInChI=1S/C21H24N4O2S2/c1-14-15(2)28-21-19(14)20(22-13-23-21)24-8-10-25(11-9-24)29(26,27)18-7-6-16-4-3-5-17(16)12-18/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyRAUALLUDVQZEKM-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.31
Rot. Bonds3

About 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 18190429) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID18190429
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c2c1C
InChIInChI=1S/C21H24N4O2S2/c1-14-15(2)28-21-19(14)20(22-13-23-21)24-8-10-25(11-9-24)29(26,27)18-7-6-16-4-3-5-17(16)12-18/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyRAUALLUDVQZEKM-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1276160
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
CID 133345278
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 25315664
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 24981281
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 1323640
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
5,6-dimethyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 2686001
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1039191
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 18190429) is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c2c1C.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is RAUALLUDVQZEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-14-15(2)28-21-19(14)20(22-13-23-21)24-8-10-25(11-9-24)29(26,27)18-7-6-16-4-3-5-17(16)12-18/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 428.58 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 18190429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).