N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine

C12H19NOS — CID 61474165

IUPACN-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCC1CCCO1
InChIInChI=1S/C12H19NOS/c1-10(7-11-4-6-15-9-11)13-8-12-3-2-5-14-12/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3
InChIKeyOBQHEFAHUGJYDK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine

N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 61474165) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID61474165
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCC1CCCO1
InChIInChI=1S/C12H19NOS/c1-10(7-11-4-6-15-9-11)13-8-12-3-2-5-14-12/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3
InChIKeyOBQHEFAHUGJYDK-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 82834455
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063
[1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105198709
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
1-(oxolan-2-yl)-2-thiophen-3-ylethanamine
CID 61080120
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine (CID 61474165) is N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is OBQHEFAHUGJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(7-11-4-6-15-9-11)13-8-12-3-2-5-14-12/h4,6,9-10,12-13H,2-3,5,7-8H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61474165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).