2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H27NOS — CID 113449540

IUPAC2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C14H27NOS/c1-2-15-14(13-7-8-16-9-13)11-17-10-12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyOHYSUXAZTFGEML-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.92
Rot. Bonds7

About 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 113449540) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID113449540
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C14H27NOS/c1-2-15-14(13-7-8-16-9-13)11-17-10-12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyOHYSUXAZTFGEML-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234985
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755637
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 113449540) is 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CSCC1CCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is OHYSUXAZTFGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-2-15-14(13-7-8-16-9-13)11-17-10-12-5-3-4-6-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 257.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113449540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).