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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Related Compounds

1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 165486516
1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
CID 105436662
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
CID 105493116
3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 164636562

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).