N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine

C14H21NOS — CID 79903550

IUPACN-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
SMILESc1cc(NC2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C14H21NOS/c1-2-6-14(7-3-1)10-12(4-8-16-14)15-13-5-9-17-11-13/h5,9,11-12,15H,1-4,6-8,10H2
InChIKeyUFUNDIRPQMIYRI-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.04
Rot. Bonds2

About N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine

N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79903550) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79903550
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
SMILESc1cc(NC2CCOC3(CCCCC3)C2)cs1
InChIInChI=1S/C14H21NOS/c1-2-6-14(7-3-1)10-12(4-8-16-14)15-13-5-9-17-11-13/h5,9,11-12,15H,1-4,6-8,10H2
InChIKeyUFUNDIRPQMIYRI-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine
CID 66351892
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
4-N,4-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,4-diamine
CID 79895553
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400

Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine (CID 79903550) is N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine is c1cc(NC2CCOC3(CCCCC3)C2)cs1.
What is the InChIKey of N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is UFUNDIRPQMIYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-6-14(7-3-1)10-12(4-8-16-14)15-13-5-9-17-11-13/h5,9,11-12,15H,1-4,6-8,10H2.
What are the key properties of N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine?
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).