6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine

C17H21BrN2OS — CID 133338043

IUPAC6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C17H21BrN2OS/c1-2-22(21)15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)20-17/h6-10,14-15H,2-5,11H2,1H3,(H,19,20)
InChIKeySEPJIYPZSAZSPU-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.49
Rot. Bonds4

About 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine

6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine (PubChem CID 133338043) has the molecular formula C17H21BrN2OS and a molecular weight of 381.34 g/mol. Its IUPAC name is 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
PubChem CID133338043
Molecular FormulaC17H21BrN2OS
Molecular Weight381.34 g/mol
Exact Mass380.06
IUPAC Name6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C17H21BrN2OS/c1-2-22(21)15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)20-17/h6-10,14-15H,2-5,11H2,1H3,(H,19,20)
InChIKeySEPJIYPZSAZSPU-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 109437774
4-bromo-5-[(3-ethylsulfinylcyclohexyl)amino]-2-methylpyridazin-3-one
CID 133338214
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
N-(3-ethylsulfinylcyclohexyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133338091

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine?
The IUPAC name of 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine (CID 133338043) is 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine?
The canonical SMILES for 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine is CCS(=O)C1CCCC(Nc2ccc3cc(Br)ccc3n2)C1.
What is the InChIKey of 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine?
The InChIKey is SEPJIYPZSAZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2OS/c1-2-22(21)15-5-3-4-14(11-15)19-17-9-6-12-10-13(18)7-8-16(12)20-17/h6-10,14-15H,2-5,11H2,1H3,(H,19,20).
What are the key properties of 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine?
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine has a molecular weight of 381.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine is sourced from PubChem (CID 133338043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).