N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide

C10H14N2O2S — CID 165486716

IUPACN-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6,11H2,1H3
InChIKeyAVKUHZVESAMUNN-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.81
Rot. Bonds2

About N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide

N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide (PubChem CID 165486716) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
PubChem CID165486716
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6,11H2,1H3
InChIKeyAVKUHZVESAMUNN-UHFFFAOYSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide (CID 165486716) is N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide is CS(=O)(=O)NC1CCc2c(N)cccc21.
What is the InChIKey of N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
The InChIKey is AVKUHZVESAMUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13,14)12-10-6-5-7-8(10)3-2-4-9(7)11/h2-4,10,12H,5-6,11H2,1H3.
What are the key properties of N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide?
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide is sourced from PubChem (CID 165486716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).