N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine

C15H17NS — CID 66350147

IUPACN-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
SMILESCc1ccc(C2CC(Nc3ccsc3)C2)cc1
InChIInChI=1S/C15H17NS/c1-11-2-4-12(5-3-11)13-8-15(9-13)16-14-6-7-17-10-14/h2-7,10,13,15-16H,8-9H2,1H3
InChIKeyKSRHFWCWVHVQRU-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.41
Rot. Bonds3

About N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine

N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine (PubChem CID 66350147) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
PubChem CID66350147
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
SMILESCc1ccc(C2CC(Nc3ccsc3)C2)cc1
InChIInChI=1S/C15H17NS/c1-11-2-4-12(5-3-11)13-8-15(9-13)16-14-6-7-17-10-14/h2-7,10,13,15-16H,8-9H2,1H3
InChIKeyKSRHFWCWVHVQRU-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine?
The IUPAC name of N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine (CID 66350147) is N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine.
What is the SMILES notation for N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine?
The canonical SMILES for N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine is Cc1ccc(C2CC(Nc3ccsc3)C2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine?
The InChIKey is KSRHFWCWVHVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-2-4-12(5-3-11)13-8-15(9-13)16-14-6-7-17-10-14/h2-7,10,13,15-16H,8-9H2,1H3.
What are the key properties of N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine?
N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine has a molecular weight of 243.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine is sourced from PubChem (CID 66350147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).