N-spiro[3.5]nonan-3-ylthiophen-3-amine

C13H19NS — CID 102952053

IUPACN-spiro[3.5]nonan-3-ylthiophen-3-amine
SMILESc1cc(NC2CCC23CCCCC3)cs1
InChIInChI=1S/C13H19NS/c1-2-6-13(7-3-1)8-4-12(13)14-11-5-9-15-10-11/h5,9-10,12,14H,1-4,6-8H2
InChIKeyIGLCZSPVAULBHB-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.27
Rot. Bonds2

About N-spiro[3.5]nonan-3-ylthiophen-3-amine

N-spiro[3.5]nonan-3-ylthiophen-3-amine (PubChem CID 102952053) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-spiro[3.5]nonan-3-ylthiophen-3-amine.

Molecular Properties

Compound NameN-spiro[3.5]nonan-3-ylthiophen-3-amine
PubChem CID102952053
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-spiro[3.5]nonan-3-ylthiophen-3-amine
SMILESc1cc(NC2CCC23CCCCC3)cs1
InChIInChI=1S/C13H19NS/c1-2-6-13(7-3-1)8-4-12(13)14-11-5-9-15-10-11/h5,9-10,12,14H,1-4,6-8H2
InChIKeyIGLCZSPVAULBHB-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-spiro[3.5]nonan-3-ylthiophen-3-amine?
The IUPAC name of N-spiro[3.5]nonan-3-ylthiophen-3-amine (CID 102952053) is N-spiro[3.5]nonan-3-ylthiophen-3-amine.
What is the SMILES notation for N-spiro[3.5]nonan-3-ylthiophen-3-amine?
The canonical SMILES for N-spiro[3.5]nonan-3-ylthiophen-3-amine is c1cc(NC2CCC23CCCCC3)cs1.
What is the InChIKey of N-spiro[3.5]nonan-3-ylthiophen-3-amine?
The InChIKey is IGLCZSPVAULBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-6-13(7-3-1)8-4-12(13)14-11-5-9-15-10-11/h5,9-10,12,14H,1-4,6-8H2.
What are the key properties of N-spiro[3.5]nonan-3-ylthiophen-3-amine?
N-spiro[3.5]nonan-3-ylthiophen-3-amine has a molecular weight of 221.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3.5]nonan-3-ylthiophen-3-amine is sourced from PubChem (CID 102952053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).