N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine

C15H29NO2S — CID 104754712

IUPACN-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C1CCCCC1)C1CCOC1
InChIInChI=1S/C15H29NO2S/c1-2-9-16-15(13-8-10-18-11-13)12-19(17)14-6-4-3-5-7-14/h13-16H,2-12H2,1H3
InChIKeyZVDGAGQZGSNHDD-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.47
Rot. Bonds7

About N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104754712) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104754712
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C1CCCCC1)C1CCOC1
InChIInChI=1S/C15H29NO2S/c1-2-9-16-15(13-8-10-18-11-13)12-19(17)14-6-4-3-5-7-14/h13-16H,2-12H2,1H3
InChIKeyZVDGAGQZGSNHDD-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
1-cyclohexylsulfinyl-N-propylpropan-2-amine
CID 64654364
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
CID 107758464
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104754712) is N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CS(=O)C1CCCCC1)C1CCOC1.
What is the InChIKey of N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is ZVDGAGQZGSNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-9-16-15(13-8-10-18-11-13)12-19(17)14-6-4-3-5-7-14/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104754712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).