N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine

C13H20N2OS — CID 133338221

IUPACN-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccccn2)C1
InChIInChI=1S/C13H20N2OS/c1-2-17(16)12-7-5-6-11(10-12)15-13-8-3-4-9-14-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,14,15)
InChIKeyIYRAGADZICEHLW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.57
Rot. Bonds4

About N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine

N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine (PubChem CID 133338221) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
PubChem CID133338221
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccccn2)C1
InChIInChI=1S/C13H20N2OS/c1-2-17(16)12-7-5-6-11(10-12)15-13-8-3-4-9-14-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,14,15)
InChIKeyIYRAGADZICEHLW-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.57
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
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 109441190
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 167950992
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
CID 119343736

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine (CID 133338221) is N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine is CCS(=O)C1CCCC(Nc2ccccn2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine?
The InChIKey is IYRAGADZICEHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-17(16)12-7-5-6-11(10-12)15-13-8-3-4-9-14-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,14,15).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine?
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine has a molecular weight of 252.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 133338221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).