trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane

C22H33NS — CID 170113127

IUPACtrimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane
SMILESCc1cc(C(C)C)ccc1-c1cc(CC(C)C)c(S(C)(C)C)cn1
InChIInChI=1S/C22H33NS/c1-15(2)11-19-13-21(23-14-22(19)24(6,7)8)20-10-9-18(16(3)4)12-17(20)5/h9-10,12-16H,11H2,1-8H3
InChIKeyUZAHFCQYJRWKPX-UHFFFAOYSA-N
MW343.58 g/mol
LogP6.43
Rot. Bonds5

About trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane

trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane (PubChem CID 170113127) has the molecular formula C22H33NS and a molecular weight of 343.58 g/mol. Its IUPAC name is trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane
PubChem CID170113127
Molecular FormulaC22H33NS
Molecular Weight343.58 g/mol
Exact Mass343.23
IUPAC Nametrimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane
SMILESCc1cc(C(C)C)ccc1-c1cc(CC(C)C)c(S(C)(C)C)cn1
InChIInChI=1S/C22H33NS/c1-15(2)11-19-13-21(23-14-22(19)24(6,7)8)20-10-9-18(16(3)4)12-17(20)5/h9-10,12-16H,11H2,1-8H3
InChIKeyUZAHFCQYJRWKPX-UHFFFAOYSA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.58
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane?
The IUPAC name of trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane (CID 170113127) is trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane is Cc1cc(C(C)C)ccc1-c1cc(CC(C)C)c(S(C)(C)C)cn1.
What is the InChIKey of trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane?
The InChIKey is UZAHFCQYJRWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NS/c1-15(2)11-19-13-21(23-14-22(19)24(6,7)8)20-10-9-18(16(3)4)12-17(20)5/h9-10,12-16H,11H2,1-8H3.
What are the key properties of trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane?
trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane has a molecular weight of 343.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-λ4-sulfane is sourced from PubChem (CID 170113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).