N-(3-methylbutyl)thiophene-2-carboxamide

C10H15NOS — CID 835970

IUPACN-(3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyVNFMHXIHXJIFRW-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.52
Rot. Bonds4

About N-(3-methylbutyl)thiophene-2-carboxamide

N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 835970) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID835970
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyVNFMHXIHXJIFRW-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)thiophene-2-carboxamide (CID 835970) is N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)thiophene-2-carboxamide is CC(C)CCNC(=O)c1cccs1.
What is the InChIKey of N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is VNFMHXIHXJIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12).
What are the key properties of N-(3-methylbutyl)thiophene-2-carboxamide?
N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 197.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 835970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).