2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine

C13H25NS — CID 80626908

IUPAC2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
SMILESCNC(CC1CCCC1)C1CCCCS1
InChIInChI=1S/C13H25NS/c1-14-12(10-11-6-2-3-7-11)13-8-4-5-9-15-13/h11-14H,2-10H2,1H3
InChIKeyCUBFUTOXDGGONO-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds4

About 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine

2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine (PubChem CID 80626908) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
PubChem CID80626908
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
SMILESCNC(CC1CCCC1)C1CCCCS1
InChIInChI=1S/C13H25NS/c1-14-12(10-11-6-2-3-7-11)13-8-4-5-9-15-13/h11-14H,2-10H2,1H3
InChIKeyCUBFUTOXDGGONO-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-1-(thian-2-yl)butan-1-amine
CID 80627563
N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
CID 80627676
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
1-(thian-2-yl)nonylhydrazine
CID 105255737
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
CID 80621672
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
CID 105187447
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thian-2-yl)ethanamine
CID 80626578

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine (CID 80626908) is 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine is CNC(CC1CCCC1)C1CCCCS1.
What is the InChIKey of 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine?
The InChIKey is CUBFUTOXDGGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-14-12(10-11-6-2-3-7-11)13-8-4-5-9-15-13/h11-14H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine?
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 80626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).