1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine

C18H21N3O2S2 — CID 166364220

IUPAC1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
SMILESCc1nc(C2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)[nH]c1C
InChIInChI=1S/C18H21N3O2S2/c1-12-13(2)20-18(19-12)15-7-5-9-21(11-15)25(22,23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,19,20)
InChIKeyNPMWDHPULMROOX-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.81
Rot. Bonds3

About 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine

1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine (PubChem CID 166364220) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
PubChem CID166364220
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
SMILESCc1nc(C2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)[nH]c1C
InChIInChI=1S/C18H21N3O2S2/c1-12-13(2)20-18(19-12)15-7-5-9-21(11-15)25(22,23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,19,20)
InChIKeyNPMWDHPULMROOX-UHFFFAOYSA-N
XLogP3.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
CID 97224296
3-(1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-sulfonamide
CID 42936634
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124990304
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 42939516
8-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948279
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 8800412
2-[(3R)-1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 51596047

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine (CID 166364220) is 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine is Cc1nc(C2CCCN(S(=O)(=O)c3cc4ccccc4s3)C2)[nH]c1C.
What is the InChIKey of 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine?
The InChIKey is NPMWDHPULMROOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-12-13(2)20-18(19-12)15-7-5-9-21(11-15)25(22,23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine?
1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine has a molecular weight of 375.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylsulfonyl)-3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 166364220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).