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

C13H25NOS — CID 104755768

IUPAC2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C13H25NOS/c1-14-13(12-6-7-15-8-12)10-16-9-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyGANVLIQWNJIIEI-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.53
Rot. Bonds6

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

2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755768) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755768
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSCC1CCCC1)C1CCOC1
InChIInChI=1S/C13H25NOS/c1-14-13(12-6-7-15-8-12)10-16-9-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyGANVLIQWNJIIEI-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104755768) is 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CSCC1CCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is GANVLIQWNJIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-14-13(12-6-7-15-8-12)10-16-9-11-4-2-3-5-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 243.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).