N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide

C17H22N4O2S — CID 133304084

IUPACN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1
InChIInChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20)
InChIKeyKBEVRANWXUBOLQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide

N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133304084) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133304084
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1
InChIInChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20)
InChIKeyKBEVRANWXUBOLQ-UHFFFAOYSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrazin-2-amine
CID 133277250
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 133277207
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393791
6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
CID 133161449
1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-3-(5-methyl-2-pyridinyl)thiourea
CID 125048128
[5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62244249
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide (CID 133304084) is N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1.
What is the InChIKey of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is KBEVRANWXUBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).