1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine

C13H18N2O3S — CID 114456010

IUPAC1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CC1CCCO1)CC2
InChIInChI=1S/C13H18N2O3S/c14-12-5-1-3-10-6-7-15(13(10)12)19(16,17)9-11-4-2-8-18-11/h1,3,5,11H,2,4,6-9,14H2
InChIKeyJJWNTBBZDVAKEZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.14
Rot. Bonds3

About 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine

1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine (PubChem CID 114456010) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
PubChem CID114456010
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CC1CCCO1)CC2
InChIInChI=1S/C13H18N2O3S/c14-12-5-1-3-10-6-7-15(13(10)12)19(16,17)9-11-4-2-8-18-11/h1,3,5,11H,2,4,6-9,14H2
InChIKeyJJWNTBBZDVAKEZ-UHFFFAOYSA-N
XLogP1.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine (CID 114456010) is 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine is Nc1cccc2c1N(S(=O)(=O)CC1CCCO1)CC2.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The InChIKey is JJWNTBBZDVAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-12-5-1-3-10-6-7-15(13(10)12)19(16,17)9-11-4-2-8-18-11/h1,3,5,11H,2,4,6-9,14H2.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine?
1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine has a molecular weight of 282.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).