5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

C11H11ClN6OS — CID 79336265

IUPAC5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nnnn3C)c(Cl)cc21
InChIInChI=1S/C11H11ClN6OS/c1-13-9-5-3-6(12)8(4-7(5)14-10(9)19)20-11-15-16-17-18(11)2/h3-4,9,13H,1-2H3,(H,14,19)
InChIKeyPAOGBORENDVGIW-UHFFFAOYSA-N
MW310.77 g/mol
LogP1.23
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 79336265) has the molecular formula C11H11ClN6OS and a molecular weight of 310.77 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID79336265
Molecular FormulaC11H11ClN6OS
Molecular Weight310.77 g/mol
Exact Mass310.04
IUPAC Name5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nnnn3C)c(Cl)cc21
InChIInChI=1S/C11H11ClN6OS/c1-13-9-5-3-6(12)8(4-7(5)14-10(9)19)20-11-15-16-17-18(11)2/h3-4,9,13H,1-2H3,(H,14,19)
InChIKeyPAOGBORENDVGIW-UHFFFAOYSA-N
XLogP1.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-3-(methylamino)-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79344854
5-chloro-3-(methylamino)-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 79335855
5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79336337
3-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 43586903
5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 79344850
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 106202243
5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349354
5-chloro-6-[cyclohexyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342494
5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349836
5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 106923290

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 79336265) is 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nnnn3C)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is PAOGBORENDVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6OS/c1-13-9-5-3-6(12)8(4-7(5)14-10(9)19)20-11-15-16-17-18(11)2/h3-4,9,13H,1-2H3,(H,14,19).
What are the key properties of 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 310.77 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).