N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide

C13H19NO2S — CID 110875708

IUPACN-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-13(5-7-16-8-6-13)10-14(2)12(15)11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeySMOBLDBDRCJPIQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide

N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 110875708) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID110875708
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-13(5-7-16-8-6-13)10-14(2)12(15)11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeySMOBLDBDRCJPIQ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
N-(3-butoxypropyl)thiophene-2-carboxamide
CID 2287726
ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
Ethyl 4-(2-methoxyethyl)-1-[(3-methyl-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 16191813
Ethyl 1-[(3-chloro-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 2813095
2-Azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
CID 54580944
Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
CID 2904303
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
N,N-diethylthiophene-2-carboxamide
CID 962897

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (CID 110875708) is N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide is CN(CC1(C)CCOCC1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is SMOBLDBDRCJPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(5-7-16-8-6-13)10-14(2)12(15)11-4-3-9-17-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).