N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide

C12H17NO2S — CID 110875749

IUPACN-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-13(8-10-2-5-15-6-3-10)12(14)11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyDMNZNXGETWVJGZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide

N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 110875749) 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-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
PubChem CID110875749
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccsc1
InChIInChI=1S/C12H17NO2S/c1-13(8-10-2-5-15-6-3-10)12(14)11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyDMNZNXGETWVJGZ-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide (CID 110875749) is N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide is CN(CC1CCOCC1)C(=O)c1ccsc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is DMNZNXGETWVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13(8-10-2-5-15-6-3-10)12(14)11-4-7-16-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)thiophene-3-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-3-carboxamide is sourced from PubChem (CID 110875749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).