N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H19N3O3S — CID 71992076

IUPACN-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCn1ccc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21
InChIInChI=1S/C15H19N3O3S/c1-2-17-6-5-12-3-4-13(11-14(12)17)16-15(19)18-7-9-22(20,21)10-8-18/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyBMUCPQCHVOJBGV-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.92
Rot. Bonds2

About N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 71992076) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID71992076
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCn1ccc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21
InChIInChI=1S/C15H19N3O3S/c1-2-17-6-5-12-3-4-13(11-14(12)17)16-15(19)18-7-9-22(20,21)10-8-18/h3-6,11H,2,7-10H2,1H3,(H,16,19)
InChIKeyBMUCPQCHVOJBGV-UHFFFAOYSA-N
XLogP1.92
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72892064
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754908
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
methyl 1-ethylindole-6-carboxylate
CID 22467242
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
CID 99715807
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 111446739

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 71992076) is N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCn1ccc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc21.
What is the InChIKey of N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is BMUCPQCHVOJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-17-6-5-12-3-4-13(11-14(12)17)16-15(19)18-7-9-22(20,21)10-8-18/h3-6,11H,2,7-10H2,1H3,(H,16,19).
What are the key properties of N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71992076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).