6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

C16H23NO2S2 — CID 67612360

IUPAC6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccsc2C(C)CC(C)C)SCCO1
InChIInChI=1S/C16H23NO2S2/c1-10(2)9-11(3)14-13(5-7-20-14)17-16(18)15-12(4)19-6-8-21-15/h5,7,10-11H,6,8-9H2,1-4H3,(H,17,18)
InChIKeyWTZRRSCDVUOMJB-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.83
Rot. Bonds5

About 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 67612360) has the molecular formula C16H23NO2S2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID67612360
Molecular FormulaC16H23NO2S2
Molecular Weight325.50 g/mol
Exact Mass325.12
IUPAC Name6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccsc2C(C)CC(C)C)SCCO1
InChIInChI=1S/C16H23NO2S2/c1-10(2)9-11(3)14-13(5-7-20-14)17-16(18)15-12(4)19-6-8-21-15/h5,7,10-11H,6,8-9H2,1-4H3,(H,17,18)
InChIKeyWTZRRSCDVUOMJB-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 67612360) is 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccsc2C(C)CC(C)C)SCCO1.
What is the InChIKey of 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is WTZRRSCDVUOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S2/c1-10(2)9-11(3)14-13(5-7-20-14)17-16(18)15-12(4)19-6-8-21-15/h5,7,10-11H,6,8-9H2,1-4H3,(H,17,18).
What are the key properties of 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 67612360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).