3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide

C16H24N2OS3 — CID 18988224

IUPAC3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C1SC(C)CCC1C
InChIInChI=1S/C16H24N2OS3/c1-9-6-7-11(3)22-14(9)15(19)18-13-12(20-4)8-10(2)17-16(13)21-5/h8-9,11,14H,6-7H2,1-5H3,(H,18,19)
InChIKeyATFWKLYTWZSBTD-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.69
Rot. Bonds4

About 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide

3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide (PubChem CID 18988224) has the molecular formula C16H24N2OS3 and a molecular weight of 356.58 g/mol. Its IUPAC name is 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide
PubChem CID18988224
Molecular FormulaC16H24N2OS3
Molecular Weight356.58 g/mol
Exact Mass356.11
IUPAC Name3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C1SC(C)CCC1C
InChIInChI=1S/C16H24N2OS3/c1-9-6-7-11(3)22-14(9)15(19)18-13-12(20-4)8-10(2)17-16(13)21-5/h8-9,11,14H,6-7H2,1-5H3,(H,18,19)
InChIKeyATFWKLYTWZSBTD-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide (CID 18988224) is 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide is CSc1cc(C)nc(SC)c1NC(=O)C1SC(C)CCC1C.
What is the InChIKey of 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide?
The InChIKey is ATFWKLYTWZSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS3/c1-9-6-7-11(3)22-14(9)15(19)18-13-12(20-4)8-10(2)17-16(13)21-5/h8-9,11,14H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide?
3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide has a molecular weight of 356.58 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide is sourced from PubChem (CID 18988224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).