4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]

C15H24N2S — CID 91901553

IUPAC4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]
SMILESCCSC1=NC2(CCCCC2)NC2=C1CCCC2
InChIInChI=1S/C15H24N2S/c1-2-18-14-12-8-4-5-9-13(12)16-15(17-14)10-6-3-7-11-15/h16H,2-11H2,1H3
InChIKeyIKEHMFNSFUDPQV-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.23
Rot. Bonds1

About 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]

4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane] (PubChem CID 91901553) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane].

Molecular Properties

Compound Name4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]
PubChem CID91901553
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]
SMILESCCSC1=NC2(CCCCC2)NC2=C1CCCC2
InChIInChI=1S/C15H24N2S/c1-2-18-14-12-8-4-5-9-13(12)16-15(17-14)10-6-3-7-11-15/h16H,2-11H2,1H3
InChIKeyIKEHMFNSFUDPQV-UHFFFAOYSA-N
XLogP4.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]?
The IUPAC name of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane] (CID 91901553) is 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane].
What is the SMILES notation for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]?
The canonical SMILES for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane] is CCSC1=NC2(CCCCC2)NC2=C1CCCC2.
What is the InChIKey of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]?
The InChIKey is IKEHMFNSFUDPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-18-14-12-8-4-5-9-13(12)16-15(17-14)10-6-3-7-11-15/h16H,2-11H2,1H3.
What are the key properties of 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane]?
4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane] has a molecular weight of 264.44 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane] is sourced from PubChem (CID 91901553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).