N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H19IN2S — CID 103967529

IUPACN-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESIc1ccccc1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H19IN2S/c16-12-6-2-3-7-13(12)18-14-17-10-15(11-19-14)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBZUVPHPLAYHJPF-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.76
Rot. Bonds1

About N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967529) has the molecular formula C15H19IN2S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967529
Molecular FormulaC15H19IN2S
Molecular Weight386.30 g/mol
Exact Mass386.03
IUPAC NameN-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESIc1ccccc1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H19IN2S/c16-12-6-2-3-7-13(12)18-14-17-10-15(11-19-14)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18)
InChIKeyBZUVPHPLAYHJPF-UHFFFAOYSA-N
XLogP4.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-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-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361025
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525
N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361210
N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361017
N-(2,4,5-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967856
N-(2,5-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967556
N-(2,3,4-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967580
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592
N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967979

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967529) is N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is Ic1ccccc1NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is BZUVPHPLAYHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2S/c16-12-6-2-3-7-13(12)18-14-17-10-15(11-19-14)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18).
What are the key properties of N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 386.30 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).