N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine

C15H29NO2S — CID 107758464

IUPACN-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C1CCOC1C)C1CCCC1
InChIInChI=1S/C15H29NO2S/c1-3-9-16-14(13-6-4-5-7-13)11-19(17)15-8-10-18-12(15)2/h12-16H,3-11H2,1-2H3
InChIKeyYHDFIMYOTZHNFW-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.47
Rot. Bonds7

About N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine

N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine (PubChem CID 107758464) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
PubChem CID107758464
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)C1CCOC1C)C1CCCC1
InChIInChI=1S/C15H29NO2S/c1-3-9-16-14(13-6-4-5-7-13)11-19(17)15-8-10-18-12(15)2/h12-16H,3-11H2,1-2H3
InChIKeyYHDFIMYOTZHNFW-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-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
CID 107758266
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
2-(2-methyloxolan-3-yl)sulfinyl-1-phenyl-N-propylpropan-1-amine
CID 107758340
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
2-methyl-N-[2-(2-methyloxolan-3-yl)sulfinylethyl]propan-2-amine
CID 107758417
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
CID 107758454
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine (CID 107758464) is N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine is CCCNC(CS(=O)C1CCOC1C)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine?
The InChIKey is YHDFIMYOTZHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-3-9-16-14(13-6-4-5-7-13)11-19(17)15-8-10-18-12(15)2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine?
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]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-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine is sourced from PubChem (CID 107758464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).