N-(4-methylthiophen-3-yl)cyclobutanecarboxamide

C10H13NOS — CID 130670865

IUPACN-(4-methylthiophen-3-yl)cyclobutanecarboxamide
SMILESCc1cscc1NC(=O)C1CCC1
InChIInChI=1S/C10H13NOS/c1-7-5-13-6-9(7)11-10(12)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyKTJSIWQOLMFUKD-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.80
Rot. Bonds2

About N-(4-methylthiophen-3-yl)cyclobutanecarboxamide

N-(4-methylthiophen-3-yl)cyclobutanecarboxamide (PubChem CID 130670865) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(4-methylthiophen-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-methylthiophen-3-yl)cyclobutanecarboxamide
PubChem CID130670865
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(4-methylthiophen-3-yl)cyclobutanecarboxamide
SMILESCc1cscc1NC(=O)C1CCC1
InChIInChI=1S/C10H13NOS/c1-7-5-13-6-9(7)11-10(12)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyKTJSIWQOLMFUKD-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylthiophen-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4-methylthiophen-3-yl)cyclobutanecarboxamide (CID 130670865) is N-(4-methylthiophen-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-methylthiophen-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-methylthiophen-3-yl)cyclobutanecarboxamide is Cc1cscc1NC(=O)C1CCC1.
What is the InChIKey of N-(4-methylthiophen-3-yl)cyclobutanecarboxamide?
The InChIKey is KTJSIWQOLMFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-5-13-6-9(7)11-10(12)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,11,12).
What are the key properties of N-(4-methylthiophen-3-yl)cyclobutanecarboxamide?
N-(4-methylthiophen-3-yl)cyclobutanecarboxamide has a molecular weight of 195.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylthiophen-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 130670865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).