2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

C19H26N4O2S — CID 20958646

IUPAC2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN3CCc4ccccc4C3)C2)c1
InChIInChI=1S/C19H26N4O2S/c1-21-14-19(20-15-21)26(24,25)23-9-4-5-16(12-23)11-22-10-8-17-6-2-3-7-18(17)13-22/h2-3,6-7,14-16H,4-5,8-13H2,1H3
InChIKeyMWKZGQUNZQLXGG-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.88
Rot. Bonds4

About 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 20958646) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID20958646
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN3CCc4ccccc4C3)C2)c1
InChIInChI=1S/C19H26N4O2S/c1-21-14-19(20-15-21)26(24,25)23-9-4-5-16(12-23)11-22-10-8-17-6-2-3-7-18(17)13-22/h2-3,6-7,14-16H,4-5,8-13H2,1H3
InChIKeyMWKZGQUNZQLXGG-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-[[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67100048
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
6-methoxy-2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 59799713
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
CID 91911692
N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958671
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline (CID 20958646) is 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline is Cn1cnc(S(=O)(=O)N2CCCC(CN3CCc4ccccc4C3)C2)c1.
What is the InChIKey of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MWKZGQUNZQLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-21-14-19(20-15-21)26(24,25)23-9-4-5-16(12-23)11-22-10-8-17-6-2-3-7-18(17)13-22/h2-3,6-7,14-16H,4-5,8-13H2,1H3.
What are the key properties of 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline?
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 374.51 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 20958646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).