2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

C11H17NS — CID 155389140

IUPAC2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESCC(C)(C)c1sc2c(c1N)CCC2
InChIInChI=1S/C11H17NS/c1-11(2,3)10-9(12)7-5-4-6-8(7)13-10/h4-6,12H2,1-3H3
InChIKeyFKGWOGULYZZZFN-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.12
Rot. Bonds

About 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (PubChem CID 155389140) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
PubChem CID155389140
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESCC(C)(C)c1sc2c(c1N)CCC2
InChIInChI=1S/C11H17NS/c1-11(2,3)10-9(12)7-5-4-6-8(7)13-10/h4-6,12H2,1-3H3
InChIKeyFKGWOGULYZZZFN-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The IUPAC name of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (CID 155389140) is 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.
What is the SMILES notation for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The canonical SMILES for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is CC(C)(C)c1sc2c(c1N)CCC2.
What is the InChIKey of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The InChIKey is FKGWOGULYZZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2,3)10-9(12)7-5-4-6-8(7)13-10/h4-6,12H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine has a molecular weight of 195.33 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is sourced from PubChem (CID 155389140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).