6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine

C19H24N2O3S — CID 133361710

IUPAC6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
SMILESCOc1cccc2c1CCC2Nc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)25(22,23)18-11-8-13(12-20-18)21-16-10-9-15-14(16)6-5-7-17(15)24-4/h5-8,11-12,16,21H,9-10H2,1-4H3
InChIKeyZDYWYPIWCXCITA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.76
Rot. Bonds4

About 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine

6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine (PubChem CID 133361710) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
PubChem CID133361710
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
SMILESCOc1cccc2c1CCC2Nc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)25(22,23)18-11-8-13(12-20-18)21-16-10-9-15-14(16)6-5-7-17(15)24-4/h5-8,11-12,16,21H,9-10H2,1-4H3
InChIKeyZDYWYPIWCXCITA-UHFFFAOYSA-N
XLogP3.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 133361794
3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
CID 133361670
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133361642
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
CID 154738926
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412619
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 99631969
1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270653
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43690629

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine (CID 133361710) is 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine is COc1cccc2c1CCC2Nc1ccc(S(=O)(=O)C(C)(C)C)nc1.
What is the InChIKey of 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
The InChIKey is ZDYWYPIWCXCITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)25(22,23)18-11-8-13(12-20-18)21-16-10-9-15-14(16)6-5-7-17(15)24-4/h5-8,11-12,16,21H,9-10H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine?
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine has a molecular weight of 360.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine is sourced from PubChem (CID 133361710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).