(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine

C11H17NOS — CID 81408382

IUPAC(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCC1CCCO1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m1/s1
InChIKeyQQSCFKRJTFFDNP-YHMJZVADSA-N
MW211.33 g/mol
LogP2.58
Rot. Bonds4

About (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine

(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 81408382) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID81408382
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCC1CCCO1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m1/s1
InChIKeyQQSCFKRJTFFDNP-YHMJZVADSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111792265
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine (CID 81408382) is (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine is C[C@@H](NCC1CCCO1)c1cccs1.
What is the InChIKey of (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is QQSCFKRJTFFDNP-YHMJZVADSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10?/m1/s1.
What are the key properties of (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine?
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81408382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).