N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide

C15H16N2O3S3 — CID 2820470

IUPACN,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide
SMILESCSc1sc(C(=O)N(C)C)c2c1S(=O)(=O)N(C)c1ccccc1-2
InChIInChI=1S/C15H16N2O3S3/c1-16(2)14(18)12-11-9-7-5-6-8-10(9)17(3)23(19,20)13(11)15(21-4)22-12/h5-8H,1-4H3
InChIKeyFQAMXRLXFDDMGI-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.98
Rot. Bonds2

About N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide

N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide (PubChem CID 2820470) has the molecular formula C15H16N2O3S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide
PubChem CID2820470
Molecular FormulaC15H16N2O3S3
Molecular Weight368.51 g/mol
Exact Mass368.03
IUPAC NameN,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide
SMILESCSc1sc(C(=O)N(C)C)c2c1S(=O)(=O)N(C)c1ccccc1-2
InChIInChI=1S/C15H16N2O3S3/c1-16(2)14(18)12-11-9-7-5-6-8-10(9)17(3)23(19,20)13(11)15(21-4)22-12/h5-8H,1-4H3
InChIKeyFQAMXRLXFDDMGI-UHFFFAOYSA-N
XLogP2.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide?
The IUPAC name of N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide (CID 2820470) is N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide?
The canonical SMILES for N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide is CSc1sc(C(=O)N(C)C)c2c1S(=O)(=O)N(C)c1ccccc1-2.
What is the InChIKey of N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide?
The InChIKey is FQAMXRLXFDDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S3/c1-16(2)14(18)12-11-9-7-5-6-8-10(9)17(3)23(19,20)13(11)15(21-4)22-12/h5-8H,1-4H3.
What are the key properties of N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide?
N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3-methylsulfanyl-4,4-dioxothieno[3,4-c][2,1]benzothiazine-1-carboxamide is sourced from PubChem (CID 2820470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).