trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane

C15H28N2S2 — CID 89375479

IUPACtrimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
SMILESCS(C)(C)C(c1ncc2c(n1)CCCC2)S(C)(C)C
InChIInChI=1S/C15H28N2S2/c1-18(2,3)15(19(4,5)6)14-16-11-12-9-7-8-10-13(12)17-14/h11,15H,7-10H2,1-6H3
InChIKeyXDRZJOVVCXVGJE-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.74
Rot. Bonds3

About trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane

trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane (PubChem CID 89375479) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
PubChem CID89375479
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC Nametrimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
SMILESCS(C)(C)C(c1ncc2c(n1)CCCC2)S(C)(C)C
InChIInChI=1S/C15H28N2S2/c1-18(2,3)15(19(4,5)6)14-16-11-12-9-7-8-10-13(12)17-14/h11,15H,7-10H2,1-6H3
InChIKeyXDRZJOVVCXVGJE-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The IUPAC name of trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane (CID 89375479) is trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane is CS(C)(C)C(c1ncc2c(n1)CCCC2)S(C)(C)C.
What is the InChIKey of trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The InChIKey is XDRZJOVVCXVGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S2/c1-18(2,3)15(19(4,5)6)14-16-11-12-9-7-8-10-13(12)17-14/h11,15H,7-10H2,1-6H3.
What are the key properties of trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane has a molecular weight of 300.54 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane is sourced from PubChem (CID 89375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).