5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

C22H29NO2S — CID 21221823

IUPAC5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2ccc(CS(=O)(=O)c3ccccc3)cc2C1
InChIInChI=1S/C22H29NO2S/c1-3-12-23(13-4-2)21-15-19-11-10-18(14-20(19)16-21)17-26(24,25)22-8-6-5-7-9-22/h5-11,14,21H,3-4,12-13,15-17H2,1-2H3
InChIKeyFYIVUUNDYJFGEV-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.25
Rot. Bonds8

About 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 21221823) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID21221823
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2ccc(CS(=O)(=O)c3ccccc3)cc2C1
InChIInChI=1S/C22H29NO2S/c1-3-12-23(13-4-2)21-15-19-11-10-18(14-20(19)16-21)17-26(24,25)22-8-6-5-7-9-22/h5-11,14,21H,3-4,12-13,15-17H2,1-2H3
InChIKeyFYIVUUNDYJFGEV-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (CID 21221823) is 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCC)C1Cc2ccc(CS(=O)(=O)c3ccccc3)cc2C1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FYIVUUNDYJFGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-3-12-23(13-4-2)21-15-19-11-10-18(14-20(19)16-21)17-26(24,25)22-8-6-5-7-9-22/h5-11,14,21H,3-4,12-13,15-17H2,1-2H3.
What are the key properties of 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 371.55 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 21221823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).