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

C12H23NOS — CID 104755775

IUPAC2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C12H23NOS/c13-12(11-5-6-14-7-11)9-15-8-10-3-1-2-4-10/h10-12H,1-9,13H2
InChIKeyDZZDPGIBPSCNQR-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.27
Rot. Bonds5

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

2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104755775) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
PubChem CID104755775
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C12H23NOS/c13-12(11-5-6-14-7-11)9-15-8-10-3-1-2-4-10/h10-12H,1-9,13H2
InChIKeyDZZDPGIBPSCNQR-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496950
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104749361
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine (CID 104755775) is 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine is NC(CSCC1CCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is DZZDPGIBPSCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c13-12(11-5-6-14-7-11)9-15-8-10-3-1-2-4-10/h10-12H,1-9,13H2.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine?
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 229.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).