N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine

C16H31NO2S — CID 64655043

IUPACN-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(S(=O)C2CCOCC2)C1
InChIInChI=1S/C16H31NO2S/c1-3-5-13-6-7-15(17-4-2)16(12-13)20(18)14-8-10-19-11-9-14/h13-17H,3-12H2,1-2H3
InChIKeyGYADYNBBWJFRRK-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine

N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine (PubChem CID 64655043) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
PubChem CID64655043
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(S(=O)C2CCOCC2)C1
InChIInChI=1S/C16H31NO2S/c1-3-5-13-6-7-15(17-4-2)16(12-13)20(18)14-8-10-19-11-9-14/h13-17H,3-12H2,1-2H3
InChIKeyGYADYNBBWJFRRK-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
[2-(oxan-4-ylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81332933
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62384259
N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64717388
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine (CID 64655043) is N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(S(=O)C2CCOCC2)C1.
What is the InChIKey of N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine?
The InChIKey is GYADYNBBWJFRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-3-5-13-6-7-15(17-4-2)16(12-13)20(18)14-8-10-19-11-9-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine?
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64655043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).