2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine

C14H28N2O2S — CID 82752301

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)S(=O)(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H28N2O2S/c1-11(2)15-10-12(3)19(17,18)16-9-8-13-6-4-5-7-14(13)16/h11-15H,4-10H2,1-3H3
InChIKeyIQDJSBMATCZZTN-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine (PubChem CID 82752301) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine
PubChem CID82752301
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)S(=O)(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H28N2O2S/c1-11(2)15-10-12(3)19(17,18)16-9-8-13-6-4-5-7-14(13)16/h11-15H,4-10H2,1-3H3
InChIKeyIQDJSBMATCZZTN-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine (CID 82752301) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)S(=O)(=O)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is IQDJSBMATCZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)15-10-12(3)19(17,18)16-9-8-13-6-4-5-7-14(13)16/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82752301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).