1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine

C15H23NO2S — CID 64647431

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO2S/c1-3-9-16-12(2)11-19(17,18)15-8-7-13-5-4-6-14(13)10-15/h7-8,10,12,16H,3-6,9,11H2,1-2H3
InChIKeyCHPVTRCSWYGWGH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.34
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine (PubChem CID 64647431) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
PubChem CID64647431
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO2S/c1-3-9-16-12(2)11-19(17,18)15-8-7-13-5-4-6-14(13)10-15/h7-8,10,12,16H,3-6,9,11H2,1-2H3
InChIKeyCHPVTRCSWYGWGH-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
CID 64647030
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
5-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2,3-dihydro-1H-indene
CID 64998596
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
5-(3-bromo-2,2-dimethylpropyl)sulfonyl-2,3-dihydro-1H-indene
CID 65000038

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine (CID 64647431) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine is CCCNC(C)CS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine?
The InChIKey is CHPVTRCSWYGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-9-16-12(2)11-19(17,18)15-8-7-13-5-4-6-14(13)10-15/h7-8,10,12,16H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine is sourced from PubChem (CID 64647431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).