N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine

C18H23NS — CID 64718244

IUPACN-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NS/c1-2-19-16-8-5-9-17(13-16)20-18-11-10-14-6-3-4-7-15(14)12-18/h3-4,6-7,10-12,16-17,19H,2,5,8-9,13H2,1H3
InChIKeyOSWVHAJOTRUPJM-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.85
Rot. Bonds4

About N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine

N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64718244) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
PubChem CID64718244
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NS/c1-2-19-16-8-5-9-17(13-16)20-18-11-10-14-6-3-4-7-15(14)12-18/h3-4,6-7,10-12,16-17,19H,2,5,8-9,13H2,1H3
InChIKeyOSWVHAJOTRUPJM-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
CID 64723484
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
CID 64716116
N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722658
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79577184
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine (CID 64718244) is N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine is CCNC1CCCC(Sc2ccc3ccccc3c2)C1.
What is the InChIKey of N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is OSWVHAJOTRUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-19-16-8-5-9-17(13-16)20-18-11-10-14-6-3-4-7-15(14)12-18/h3-4,6-7,10-12,16-17,19H,2,5,8-9,13H2,1H3.
What are the key properties of N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine?
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64718244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).