N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide

C14H22N2O2S — CID 75483143

IUPACN,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
SMILESCC(NCC1CCC(C(=O)N(C)C)O1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-10(13-5-4-8-19-13)15-9-11-6-7-12(18-11)14(17)16(2)3/h4-5,8,10-12,15H,6-7,9H2,1-3H3
InChIKeyYDPNJGMUPRVMSK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.03
Rot. Bonds5

About N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide

N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide (PubChem CID 75483143) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
PubChem CID75483143
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
SMILESCC(NCC1CCC(C(=O)N(C)C)O1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-10(13-5-4-8-19-13)15-9-11-6-7-12(18-11)14(17)16(2)3/h4-5,8,10-12,15H,6-7,9H2,1-3H3
InChIKeyYDPNJGMUPRVMSK-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-5-[[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 129429860
(2S,5R)-5-[[[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 124829892
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244684
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 115287506
5-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide;hydrochloride
CID 120874053
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408188
N-methyl-N-propan-2-yl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408875

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide (CID 75483143) is N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide is CC(NCC1CCC(C(=O)N(C)C)O1)c1cccs1.
What is the InChIKey of N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide?
The InChIKey is YDPNJGMUPRVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(13-5-4-8-19-13)15-9-11-6-7-12(18-11)14(17)16(2)3/h4-5,8,10-12,15H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide?
N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 75483143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).