2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide

C15H19NO3S2 — CID 101350234

IUPAC2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide
SMILESCc1c(C)c(S(=O)(=O)N=C=S)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C15H19NO3S2/c1-9-10(2)14(21(17,18)16-8-20)11(3)12-6-7-15(4,5)19-13(9)12/h6-7H2,1-5H3
InChIKeyVYLXLPFGAKFFOP-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.51
Rot. Bonds2

About 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide

2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide (PubChem CID 101350234) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide
PubChem CID101350234
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide
SMILESCc1c(C)c(S(=O)(=O)N=C=S)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C15H19NO3S2/c1-9-10(2)14(21(17,18)16-8-20)11(3)12-6-7-15(4,5)19-13(9)12/h6-7H2,1-5H3
InChIKeyVYLXLPFGAKFFOP-UHFFFAOYSA-N
XLogP3.51
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide (CID 101350234) is 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide is Cc1c(C)c(S(=O)(=O)N=C=S)c(C)c2c1OC(C)(C)CC2.
What is the InChIKey of 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is VYLXLPFGAKFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-9-10(2)14(21(17,18)16-8-20)11(3)12-6-7-15(4,5)19-13(9)12/h6-7H2,1-5H3.
What are the key properties of 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide?
2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 101350234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).