N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine

C11H21NOS — CID 79332992

IUPACN-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCCC(SC2COC2)C1
InChIInChI=1S/C11H21NOS/c1-2-12-9-4-3-5-10(6-9)14-11-7-13-8-11/h9-12H,2-8H2,1H3
InChIKeyALVWAYKLJSRZBF-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine

N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine (PubChem CID 79332992) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
PubChem CID79332992
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCCC(SC2COC2)C1
InChIInChI=1S/C11H21NOS/c1-2-12-9-4-3-5-10(6-9)14-11-7-13-8-11/h9-12H,2-8H2,1H3
InChIKeyALVWAYKLJSRZBF-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine
CID 79333226
N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
CID 79333343
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
ethane;N-ethyloxetan-3-amine
CID 156737426
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
N-ethyl-3-(2-ethylbutyl)cyclohexan-1-amine
CID 82923683
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine (CID 79332992) is N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine is CCNC1CCCC(SC2COC2)C1.
What is the InChIKey of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is ALVWAYKLJSRZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-12-9-4-3-5-10(6-9)14-11-7-13-8-11/h9-12H,2-8H2,1H3.
What are the key properties of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 79332992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).