N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine

C15H17N3O2S — CID 80649324

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc3c2NCC3)cn1
InChIInChI=1S/C15H17N3O2S/c1-21(19,20)14-6-5-13(10-18-14)17-9-12-4-2-3-11-7-8-16-15(11)12/h2-6,10,16-17H,7-9H2,1H3
InChIKeyKLNMWJXPLVPLKU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.07
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine (PubChem CID 80649324) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
PubChem CID80649324
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc3c2NCC3)cn1
InChIInChI=1S/C15H17N3O2S/c1-21(19,20)14-6-5-13(10-18-14)17-9-12-4-2-3-11-7-8-16-15(11)12/h2-6,10,16-17H,7-9H2,1H3
InChIKeyKLNMWJXPLVPLKU-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115103899
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
CID 80650265
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-5-fluoropyridin-3-amine
CID 114254338
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1H-indazol-5-amine
CID 80648541
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine (CID 80649324) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCc2cccc3c2NCC3)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine?
The InChIKey is KLNMWJXPLVPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21(19,20)14-6-5-13(10-18-14)17-9-12-4-2-3-11-7-8-16-15(11)12/h2-6,10,16-17H,7-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine has a molecular weight of 303.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 80649324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).