N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide

C15H24N2O2S — CID 75515785

IUPACN,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide
SMILESCc1ccc(C(C)NCC2CCC(C(=O)N(C)C)O2)s1
InChIInChI=1S/C15H24N2O2S/c1-10-5-8-14(20-10)11(2)16-9-12-6-7-13(19-12)15(18)17(3)4/h5,8,11-13,16H,6-7,9H2,1-4H3
InChIKeyBINFCXGXUSLVLK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds5

About N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide

N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide (PubChem CID 75515785) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide
PubChem CID75515785
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide
SMILESCc1ccc(C(C)NCC2CCC(C(=O)N(C)C)O2)s1
InChIInChI=1S/C15H24N2O2S/c1-10-5-8-14(20-10)11(2)16-9-12-6-7-13(19-12)15(18)17(3)4/h5,8,11-13,16H,6-7,9H2,1-4H3
InChIKeyBINFCXGXUSLVLK-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
CID 75483143
(2S,5S)-5-[[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 129429860
5-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide;hydrochloride
CID 120874053
N,N-dimethyl-5-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxolane-2-carboxamide
CID 75515788
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
(2S,5R)-5-[[[2-(2,5-difluorophenyl)acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97333491
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 99780914
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54898751
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 54921834
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244684
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide (CID 75515785) is N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide is Cc1ccc(C(C)NCC2CCC(C(=O)N(C)C)O2)s1.
What is the InChIKey of N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide?
The InChIKey is BINFCXGXUSLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-5-8-14(20-10)11(2)16-9-12-6-7-13(19-12)15(18)17(3)4/h5,8,11-13,16H,6-7,9H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide?
N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 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-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 75515785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).