3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine

C13H25NOS — CID 115725124

IUPAC3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)C2CCOC2)C1
InChIInChI=1S/C13H25NOS/c1-3-16-13-5-4-12(8-13)14-10(2)11-6-7-15-9-11/h10-14H,3-9H2,1-2H3
InChIKeyHRHNQYZKOJUAAB-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds5

About 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine

3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 115725124) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
PubChem CID115725124
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
SMILESCCSC1CCC(NC(C)C2CCOC2)C1
InChIInChI=1S/C13H25NOS/c1-3-16-13-5-4-12(8-13)14-10(2)11-6-7-15-9-11/h10-14H,3-9H2,1-2H3
InChIKeyHRHNQYZKOJUAAB-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115910663
N-(1-cyclobutylpropan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115725131
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
N-(1-cyclopropylethyl)-3-methylsulfanylcyclopentan-1-amine
CID 115677390
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451
3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103785689
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
N-[cyclopropyl(thiophen-2-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103926276
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103711399

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine (CID 115725124) is 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine is CCSC1CCC(NC(C)C2CCOC2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is HRHNQYZKOJUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-3-16-13-5-4-12(8-13)14-10(2)11-6-7-15-9-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine?
3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115725124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).