N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C15H24N2O2S — CID 61124769

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2,11-16)17-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,17H,3-7,11,16H2,1-2H3
InChIKeyAKSZDWPIJOJCDF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.97
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 61124769) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID61124769
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2,11-16)17-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,17H,3-7,11,16H2,1-2H3
InChIKeyAKSZDWPIJOJCDF-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 61124769) is N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is AKSZDWPIJOJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-15(4-2,11-16)17-20(18,19)14-9-8-12-6-5-7-13(12)10-14/h8-10,17H,3-7,11,16H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 61124769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).