N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

C11H15NO2S — CID 95318308

IUPACN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)12-15(2,13)14/h3-6,8,11-12H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyCMRRLEGAQXUGMF-LDYMZIIASA-N
MW225.31 g/mol
LogP1.47
Rot. Bonds2

About N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 95318308) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID95318308
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C11H15NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)12-15(2,13)14/h3-6,8,11-12H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyCMRRLEGAQXUGMF-LDYMZIIASA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
1,3,5-trimethyl-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]pyrazole-4-sulfonamide
CID 95331561
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
N-cyclopentyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 115889725
5-(methanesulfonamidomethyl)-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
CID 97028290
3-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]azetidine-1-carboxylic acid
CID 68593108
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 95318308) is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is C[C@@H]1Cc2ccccc2[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is CMRRLEGAQXUGMF-LDYMZIIASA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)12-15(2,13)14/h3-6,8,11-12H,7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 95318308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).