N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine

C13H25NOS — CID 105147710

IUPACN-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)C1CCOC1
InChIInChI=1S/C13H25NOS/c1-2-14-13(12-3-6-15-10-12)9-11-4-7-16-8-5-11/h11-14H,2-10H2,1H3
InChIKeyGZFDJCSNNQSYJY-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine

N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine (PubChem CID 105147710) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
PubChem CID105147710
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)C1CCOC1
InChIInChI=1S/C13H25NOS/c1-2-14-13(12-3-6-15-10-12)9-11-4-7-16-8-5-11/h11-14H,2-10H2,1H3
InChIKeyGZFDJCSNNQSYJY-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 113362179
N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746452
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine (CID 105147710) is N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine is CCNC(CC1CCSCC1)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is GZFDJCSNNQSYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-14-13(12-3-6-15-10-12)9-11-4-7-16-8-5-11/h11-14H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 243.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105147710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).