2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C15H23NO2S — CID 64673627

IUPAC2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)(=O)C(C)C
InChIInChI=1S/C15H23NO2S/c1-4-9-16-15-13-8-6-5-7-12(13)10-14(15)19(17,18)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyYNQGFBUJGJLGHU-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.48
Rot. Bonds5

About 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine

2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64673627) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64673627
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)(=O)C(C)C
InChIInChI=1S/C15H23NO2S/c1-4-9-16-15-13-8-6-5-7-12(13)10-14(15)19(17,18)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyYNQGFBUJGJLGHU-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105003374
N-(2-amino-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 63767365
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63631769

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 64673627) is 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1S(=O)(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YNQGFBUJGJLGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-9-16-15-13-8-6-5-7-12(13)10-14(15)19(17,18)11(2)3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64673627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).