N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide

C12H18N2O2S — CID 66265185

IUPACN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-13-11-7-16-6-10(11)12(15)14(2)5-9-3-4-17-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyVPIXHRVLJYKANY-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.94
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide

N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide (PubChem CID 66265185) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
PubChem CID66265185
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-13-11-7-16-6-10(11)12(15)14(2)5-9-3-4-17-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyVPIXHRVLJYKANY-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266835
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836
[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66265218
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-(4-ethylphenyl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265259

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide (CID 66265185) is N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The InChIKey is VPIXHRVLJYKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-11-7-16-6-10(11)12(15)14(2)5-9-3-4-17-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66265185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).