N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine

C13H21NO2S2 — CID 113449399

IUPACN-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccs1)C1CCOC1
InChIInChI=1S/C13H21NO2S2/c1-2-6-14-12(11-5-7-16-9-11)10-18(15)13-4-3-8-17-13/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3
InChIKeyXIKBXTRPSNBLFO-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.26
Rot. Bonds7

About N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine

N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine (PubChem CID 113449399) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
PubChem CID113449399
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC NameN-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccs1)C1CCOC1
InChIInChI=1S/C13H21NO2S2/c1-2-6-14-12(11-5-7-16-9-11)10-18(15)13-4-3-8-17-13/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3
InChIKeyXIKBXTRPSNBLFO-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethanamine
CID 104754556
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 115706486
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine (CID 113449399) is N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine is CCCNC(CS(=O)c1cccs1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine?
The InChIKey is XIKBXTRPSNBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-2-6-14-12(11-5-7-16-9-11)10-18(15)13-4-3-8-17-13/h3-4,8,11-12,14H,2,5-7,9-10H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine?
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine is sourced from PubChem (CID 113449399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).