2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine

C17H27NOS — CID 64651096

IUPAC2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2ccccc2)CC1S(=O)CC
InChIInChI=1S/C17H27NOS/c1-3-12-18-16-11-10-15(13-17(16)20(19)4-2)14-8-6-5-7-9-14/h5-9,15-18H,3-4,10-13H2,1-2H3
InChIKeyYYULPIYEADTARI-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.46
Rot. Bonds6

About 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine

2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine (PubChem CID 64651096) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
PubChem CID64651096
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2ccccc2)CC1S(=O)CC
InChIInChI=1S/C17H27NOS/c1-3-12-18-16-11-10-15(13-17(16)20(19)4-2)14-8-6-5-7-9-14/h5-9,15-18H,3-4,10-13H2,1-2H3
InChIKeyYYULPIYEADTARI-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64652860
2-butyl-4-phenyl-N-propylcyclohexan-1-amine
CID 63401101
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
N-ethyl-4-phenyl-2-propylcyclohexan-1-amine
CID 55185589
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64651846
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine (CID 64651096) is 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine is CCCNC1CCC(c2ccccc2)CC1S(=O)CC.
What is the InChIKey of 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine?
The InChIKey is YYULPIYEADTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-12-18-16-11-10-15(13-17(16)20(19)4-2)14-8-6-5-7-9-14/h5-9,15-18H,3-4,10-13H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine?
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64651096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).