1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine

C12H17NS — CID 96770978

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
SMILESNC1(c2cc3c(s2)CCCC3)CCC1
InChIInChI=1S/C12H17NS/c13-12(6-3-7-12)11-8-9-4-1-2-5-10(9)14-11/h8H,1-7,13H2
InChIKeyUMIIOMKFWVYGSN-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.96
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine (PubChem CID 96770978) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
PubChem CID96770978
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
SMILESNC1(c2cc3c(s2)CCCC3)CCC1
InChIInChI=1S/C12H17NS/c13-12(6-3-7-12)11-8-9-4-1-2-5-10(9)14-11/h8H,1-7,13H2
InChIKeyUMIIOMKFWVYGSN-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine (CID 96770978) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine is NC1(c2cc3c(s2)CCCC3)CCC1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine?
The InChIKey is UMIIOMKFWVYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c13-12(6-3-7-12)11-8-9-4-1-2-5-10(9)14-11/h8H,1-7,13H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 96770978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).