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

C10H13NO3S — CID 103684497

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H13NO3S/c1-15(13,14)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3/t9-,10+/m0/s1
InChIKeyJFBDIZJBAMPSGE-VHSXEESVSA-N
MW227.28 g/mol
LogP0.19
Rot. Bonds2

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

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 103684497) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID103684497
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H13NO3S/c1-15(13,14)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3/t9-,10+/m0/s1
InChIKeyJFBDIZJBAMPSGE-VHSXEESVSA-N
XLogP0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61367599
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 103825572
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 102739063
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 103825580

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 103684497) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is JFBDIZJBAMPSGE-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(13,14)11-10-8-5-3-2-4-7(8)6-9(10)12/h2-5,9-12H,6H2,1H3/t9-,10+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 103684497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).