N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine

C13H25NO2S — CID 64717388

IUPACN-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)C2CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-14-11-4-3-5-13(10-11)17(15)12-6-8-16-9-7-12/h11-14H,2-10H2,1H3
InChIKeyWFTOWDQTFPIUFN-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.83
Rot. Bonds4

About N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine

N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine (PubChem CID 64717388) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
PubChem CID64717388
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)C2CCOCC2)C1
InChIInChI=1S/C13H25NO2S/c1-2-14-11-4-3-5-13(10-11)17(15)12-6-8-16-9-7-12/h11-14H,2-10H2,1H3
InChIKeyWFTOWDQTFPIUFN-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
cyclobutylsulfinylcyclobutane
CID 14738655
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
CID 79332992
N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
CID 64724266
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine (CID 64717388) is N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine is CCNC1CCCC(S(=O)C2CCOCC2)C1.
What is the InChIKey of N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
The InChIKey is WFTOWDQTFPIUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-14-11-4-3-5-13(10-11)17(15)12-6-8-16-9-7-12/h11-14H,2-10H2,1H3.
What are the key properties of N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine?
N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64717388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).