N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C15H17ClN2S — CID 2807109

IUPACN-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC=C1SC(Nc2ccccc2Cl)=NC12CCCCC2
InChIInChI=1S/C15H17ClN2S/c1-11-15(9-5-2-6-10-15)18-14(19-11)17-13-8-4-3-7-12(13)16/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyVJWDHVFDNJXKHN-UHFFFAOYSA-N
MW292.83 g/mol
LogP5.07
Rot. Bonds1

About N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 2807109) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID2807109
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC NameN-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC=C1SC(Nc2ccccc2Cl)=NC12CCCCC2
InChIInChI=1S/C15H17ClN2S/c1-11-15(9-5-2-6-10-15)18-14(19-11)17-13-8-4-3-7-12(13)16/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyVJWDHVFDNJXKHN-UHFFFAOYSA-N
XLogP5.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 2807109) is N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is C=C1SC(Nc2ccccc2Cl)=NC12CCCCC2.
What is the InChIKey of N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is VJWDHVFDNJXKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-11-15(9-5-2-6-10-15)18-14(19-11)17-13-8-4-3-7-12(13)16/h3-4,7-8H,1-2,5-6,9-10H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 292.83 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methylidene-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 2807109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).