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

C14H23IN2S — CID 90486025

IUPAC4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide
SMILESCSC1=NC2(CCCCC2)NC2=C1CCCC2.I
InChIInChI=1S/C14H22N2S.HI/c1-17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-2-6-10-14;/h15H,2-10H2,1H3;1H
InChIKeyZUFKKGCCDZLCHS-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.46
Rot. Bonds

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

4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide (PubChem CID 90486025) has the molecular formula C14H23IN2S and a molecular weight of 378.32 g/mol. Its IUPAC name is 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide.

Molecular Properties

Compound Name4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide
PubChem CID90486025
Molecular FormulaC14H23IN2S
Molecular Weight378.32 g/mol
Exact Mass378.06
IUPAC Name4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide
SMILESCSC1=NC2(CCCCC2)NC2=C1CCCC2.I
InChIInChI=1S/C14H22N2S.HI/c1-17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-2-6-10-14;/h15H,2-10H2,1H3;1H
InChIKeyZUFKKGCCDZLCHS-UHFFFAOYSA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide?
The IUPAC name of 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide (CID 90486025) is 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide.
What is the SMILES notation for 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide?
The canonical SMILES for 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide is CSC1=NC2(CCCCC2)NC2=C1CCCC2.I.
What is the InChIKey of 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide?
The InChIKey is ZUFKKGCCDZLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.HI/c1-17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-2-6-10-14;/h15H,2-10H2,1H3;1H.
What are the key properties of 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide?
4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide has a molecular weight of 378.32 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylspiro[5,6,7,8-tetrahydro-1H-quinazoline-2,1'-cyclohexane];hydroiodide is sourced from PubChem (CID 90486025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).