5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H19N3O2S — CID 53145333

IUPAC5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-8-7-15-16(10-19)18-11-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,11H,1-4,7-8,10H2,(H,17,18)
InChIKeyMHVARHZQDXCQGQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.04
Rot. Bonds2

About 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145333) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145333
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-8-7-15-16(10-19)18-11-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,11H,1-4,7-8,10H2,(H,17,18)
InChIKeyMHVARHZQDXCQGQ-UHFFFAOYSA-N
XLogP2.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methylphenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145359
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)benzoic acid
CID 110712843
5-(2,5-dichlorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145322
5-thiophen-2-ylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145331
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
6-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090132
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145337
3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-ol
CID 51225596
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787287
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)-2,1,3-benzothiadiazole
CID 72864894

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145333) is 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MHVARHZQDXCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,19-8-7-15-16(10-19)18-11-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,11H,1-4,7-8,10H2,(H,17,18).
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 317.41 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).