4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile

C15H17N3S — CID 115361152

IUPAC4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
SMILESN#Cc1ccc(NC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C15H17N3S/c16-9-12-3-5-13(6-4-12)18-14-17-10-15(11-19-14)7-1-2-8-15/h3-6H,1-2,7-8,10-11H2,(H,17,18)
InChIKeyZOQYAGRRRBNNTL-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.63
Rot. Bonds1

About 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile

4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile (PubChem CID 115361152) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
PubChem CID115361152
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
SMILESN#Cc1ccc(NC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C15H17N3S/c16-9-12-3-5-13(6-4-12)18-14-17-10-15(11-19-14)7-1-2-8-15/h3-6H,1-2,7-8,10-11H2,(H,17,18)
InChIKeyZOQYAGRRRBNNTL-UHFFFAOYSA-N
XLogP3.63
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylsulfanylphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361044
N-(3-bromo-4-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967890
N-(3-bromo-4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361730
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
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-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361210
N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967979
N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361425
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzene-1,2-dicarbonitrile
CID 106251814

Frequently Asked Questions

What is the IUPAC name of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile?
The IUPAC name of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile (CID 115361152) is 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile.
What is the SMILES notation for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile?
The canonical SMILES for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile is N#Cc1ccc(NC2=NCC3(CCCC3)CS2)cc1.
What is the InChIKey of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile?
The InChIKey is ZOQYAGRRRBNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c16-9-12-3-5-13(6-4-12)18-14-17-10-15(11-19-14)7-1-2-8-15/h3-6H,1-2,7-8,10-11H2,(H,17,18).
What are the key properties of 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile?
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile has a molecular weight of 271.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile is sourced from PubChem (CID 115361152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).