N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide

C12H17NO2S — CID 110875695

IUPACN-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2ccsc2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)9-13-11(14)10-2-7-16-8-10/h2,7-8H,3-6,9H2,1H3,(H,13,14)
InChIKeyNYBGFUYMUHFIGV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.29
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 110875695) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
PubChem CID110875695
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2ccsc2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)9-13-11(14)10-2-7-16-8-10/h2,7-8H,3-6,9H2,1H3,(H,13,14)
InChIKeyNYBGFUYMUHFIGV-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide (CID 110875695) is N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide is CC1(CNC(=O)c2ccsc2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is NYBGFUYMUHFIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(3-5-15-6-4-12)9-13-11(14)10-2-7-16-8-10/h2,7-8H,3-6,9H2,1H3,(H,13,14).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 110875695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).