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

C12H17NO2S — CID 103742554

IUPACN-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2cccs2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(4-6-15-7-5-12)9-13-11(14)10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,13,14)
InChIKeyNZXZRSQAIUGYKO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.29
Rot. Bonds3

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

N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 103742554) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
PubChem CID103742554
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2cccs2)CCOCC1
InChIInChI=1S/C12H17NO2S/c1-12(4-6-15-7-5-12)9-13-11(14)10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,13,14)
InChIKeyNZXZRSQAIUGYKO-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-2-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide (CID 103742554) is N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide is CC1(CNC(=O)c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NZXZRSQAIUGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(4-6-15-7-5-12)9-13-11(14)10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,13,14).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide?
N-[(4-methyloxan-4-yl)methyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 103742554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).