N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide

C12H17NO2S — CID 64591542

IUPACN-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-13(9-10-4-6-15-7-5-10)12(14)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWMOSFSVRQNKHNV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide

N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 64591542) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
PubChem CID64591542
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-13(9-10-4-6-15-7-5-10)12(14)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyWMOSFSVRQNKHNV-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.25
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
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 2180987
N-(3-isopropoxypropyl)-2-thiophenecarboxamide
CID 2212554
N-(3-butoxypropyl)thiophene-2-carboxamide
CID 2287726
ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
Ethyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 728491
Ethyl 4-(2-methoxyethyl)-1-[(3-methyl-2-thienyl)carbonyl]piperidine-4-carboxylate
CID 16191813
4-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]morpholine
CID 1246298
Ethyl 1-[(3-chloro-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 2813095

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide (CID 64591542) is N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide is CN(CC1CCOCC1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is WMOSFSVRQNKHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13(9-10-4-6-15-7-5-10)12(14)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 64591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).