N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide

C19H24N2O3S — CID 163973001

IUPACN-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
SMILESCc1ncccc1Oc1ccc2c(c1)C[C@@H](CNS(=O)(=O)C(C)C)C2
InChIInChI=1S/C19H24N2O3S/c1-13(2)25(22,23)21-12-15-9-16-6-7-18(11-17(16)10-15)24-19-5-4-8-20-14(19)3/h4-8,11,13,15,21H,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeySRQKMGBYUJGUBK-HNNXBMFYSA-N
MW360.48 g/mol
LogP3.22
Rot. Bonds6

About N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide

N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide (PubChem CID 163973001) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
PubChem CID163973001
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
SMILESCc1ncccc1Oc1ccc2c(c1)C[C@@H](CNS(=O)(=O)C(C)C)C2
InChIInChI=1S/C19H24N2O3S/c1-13(2)25(22,23)21-12-15-9-16-6-7-18(11-17(16)10-15)24-19-5-4-8-20-14(19)3/h4-8,11,13,15,21H,9-10,12H2,1-3H3/t15-/m0/s1
InChIKeySRQKMGBYUJGUBK-HNNXBMFYSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 66868677
N-[2-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 66869175
2-[[3-[(2-Methoxyfluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
CID 164617324
US10174044, Example 51
CID 134520632
US10174044, Example 50
CID 134520644
2-methylsulfonyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 56820923
2-[(3S,4S)-1-ethylsulfonyl-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]pyridine
CID 110203302
N-{(2S)-5-[(5-fluoro-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl}-2-propanesulfonamide
CID 44124721
N-[5-[6-(trifluoromethyl)pyridin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 46917029
N-[(2S)-5-[6-(trifluoromethyl)pyridin-2-yl]oxy-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 46935656
N-[(1S,2R)-2-[[6-(2-cyano-4-fluorophenyl)-3-pyridinyl]oxy]cyclohexyl]propane-2-sulfonamide
CID 49854064
5-fluoro-2-[[(2S)-2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine
CID 58120117

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide (CID 163973001) is N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide is Cc1ncccc1Oc1ccc2c(c1)C[C@@H](CNS(=O)(=O)C(C)C)C2.
What is the InChIKey of N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide?
The InChIKey is SRQKMGBYUJGUBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13(2)25(22,23)21-12-15-9-16-6-7-18(11-17(16)10-15)24-19-5-4-8-20-14(19)3/h4-8,11,13,15,21H,9-10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide?
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 163973001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).