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

C15H19IN2S — CID 103967525

IUPACN-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESIc1ccc(NC2=NCC3(CCCCC3)CS2)cc1
InChIInChI=1S/C15H19IN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeySFHFXHLFZIEXBP-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.76
Rot. Bonds1

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

N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967525) has the molecular formula C15H19IN2S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967525
Molecular FormulaC15H19IN2S
Molecular Weight386.30 g/mol
Exact Mass386.03
IUPAC NameN-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESIc1ccc(NC2=NCC3(CCCCC3)CS2)cc1
InChIInChI=1S/C15H19IN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeySFHFXHLFZIEXBP-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'}

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Related Compounds

N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592
N-(4-methylsulfanylphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361044
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
CID 115361152
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115360949
N-(3-bromo-4-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967890
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
N-(4-bromo-3,5-dimethylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107575996
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzene-1,2-dicarbonitrile
CID 107791769
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967525) is N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is Ic1ccc(NC2=NCC3(CCCCC3)CS2)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is SFHFXHLFZIEXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2S/c16-12-4-6-13(7-5-12)18-14-17-10-15(11-19-14)8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,17,18).
What are the key properties of N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(4-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-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).