4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide

C16H20N2O2S2 — CID 154044726

IUPAC4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)C(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-9-16(10-6-12)22(19,20)18-21(4)14(3)15-8-7-13(2)17-11-15/h5-11,14H,1-4H3
InChIKeyZOCMXKUZTPJBNZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.58
Rot. Bonds4

About 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide

4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 154044726) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide
PubChem CID154044726
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)C(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-9-16(10-6-12)22(19,20)18-21(4)14(3)15-8-7-13(2)17-11-15/h5-11,14H,1-4H3
InChIKeyZOCMXKUZTPJBNZ-UHFFFAOYSA-N
XLogP3.58
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide (CID 154044726) is 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(C)C(C)c2ccc(C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is ZOCMXKUZTPJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-5-9-16(10-6-12)22(19,20)18-21(4)14(3)15-8-7-13(2)17-11-15/h5-11,14H,1-4H3.
What are the key properties of 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide?
4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 154044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).