N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C16H17NOS — CID 143267957

IUPACN,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)-c1cc(C)cc(C)c1CC2
InChIInChI=1S/C16H17NOS/c1-9-6-10(2)12-5-4-11-8-14(16(18)17-3)19-15(11)13(12)7-9/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyYYKBQYBSNZVHRP-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.49
Rot. Bonds1

About N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 143267957) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID143267957
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)-c1cc(C)cc(C)c1CC2
InChIInChI=1S/C16H17NOS/c1-9-6-10(2)12-5-4-11-8-14(16(18)17-3)19-15(11)13(12)7-9/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyYYKBQYBSNZVHRP-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 143267957) is N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is CNC(=O)c1cc2c(s1)-c1cc(C)cc(C)c1CC2.
What is the InChIKey of N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is YYKBQYBSNZVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-9-6-10(2)12-5-4-11-8-14(16(18)17-3)19-15(11)13(12)7-9/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,8-trimethyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 143267957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).