N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

C14H22N2O2S — CID 71974354

IUPACN-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)C1CCOC1
InChIInChI=1S/C14H22N2O2S/c1-15(2)6-7-16(10-13-4-3-9-19-13)14(17)12-5-8-18-11-12/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyJOVMGCUKQREMHN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 71974354) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
PubChem CID71974354
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)C1CCOC1
InChIInChI=1S/C14H22N2O2S/c1-15(2)6-7-16(10-13-4-3-9-19-13)14(17)12-5-8-18-11-12/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyJOVMGCUKQREMHN-UHFFFAOYSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 97060713
(1R,2R,4R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98787782
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
CID 111969892
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (CID 71974354) is N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is CN(C)CCN(Cc1cccs1)C(=O)C1CCOC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is JOVMGCUKQREMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15(2)6-7-16(10-13-4-3-9-19-13)14(17)12-5-8-18-11-12/h3-4,9,12H,5-8,10-11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 71974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).