N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine

C13H25NOS — CID 80622502

IUPACN-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CCCS1
InChIInChI=1S/C13H25NOS/c1-2-14-12(13-4-3-9-16-13)10-11-5-7-15-8-6-11/h11-14H,2-10H2,1H3
InChIKeyZECKFQPTWBECKR-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine

N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80622502) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80622502
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESCCNC(CC1CCOCC1)C1CCCS1
InChIInChI=1S/C13H25NOS/c1-2-14-12(13-4-3-9-16-13)10-11-5-7-15-8-6-11/h11-14H,2-10H2,1H3
InChIKeyZECKFQPTWBECKR-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

1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621767
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710
N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
CID 103516564
N-ethyl-5,5,5-trifluoro-1-(thiolan-2-yl)pentan-1-amine
CID 115517497
2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
N-ethyl-5,5,5-trifluoro-1-(thian-2-yl)pentan-1-amine
CID 115517503
N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
CID 80627742
N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80627166
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine (CID 80622502) is N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine is CCNC(CC1CCOCC1)C1CCCS1.
What is the InChIKey of N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is ZECKFQPTWBECKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-14-12(13-4-3-9-16-13)10-11-5-7-15-8-6-11/h11-14H,2-10H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine 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 N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).