1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine

C15H17N3O2S — CID 114456007

IUPAC1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CCc1ccccn1)CC2
InChIInChI=1S/C15H17N3O2S/c16-14-6-3-4-12-7-10-18(15(12)14)21(19,20)11-8-13-5-1-2-9-17-13/h1-6,9H,7-8,10-11,16H2
InChIKeyJYCBPLMQBQRBJU-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine

1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine (PubChem CID 114456007) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine
PubChem CID114456007
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CCc1ccccn1)CC2
InChIInChI=1S/C15H17N3O2S/c16-14-6-3-4-12-7-10-18(15(12)14)21(19,20)11-8-13-5-1-2-9-17-13/h1-6,9H,7-8,10-11,16H2
InChIKeyJYCBPLMQBQRBJU-UHFFFAOYSA-N
XLogP1.60
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456040
1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114455986
ethyl 3-[(7-amino-2,3-dihydroindol-1-yl)sulfonyl]propanoate
CID 114456039
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
ethyl 2-[(7-amino-2,3-dihydroindol-1-yl)sulfonyl]acetate
CID 114456036
1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456010
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194033
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456013
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine (CID 114456007) is 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine is Nc1cccc2c1N(S(=O)(=O)CCc1ccccn1)CC2.
What is the InChIKey of 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine?
The InChIKey is JYCBPLMQBQRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-14-6-3-4-12-7-10-18(15(12)14)21(19,20)11-8-13-5-1-2-9-17-13/h1-6,9H,7-8,10-11,16H2.
What are the key properties of 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine?
1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine has a molecular weight of 303.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethylsulfonyl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).