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

C13H19NO3S — CID 103834195

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H19NO3S/c1-9(2)8-18(16,17)14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyUBZGLCCETOSJQP-OLZOCXBDSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide (PubChem CID 103834195) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
PubChem CID103834195
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H19NO3S/c1-9(2)8-18(16,17)14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyUBZGLCCETOSJQP-OLZOCXBDSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
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]propane-1-sulfonamide
CID 113240016
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
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid
CID 107216303
4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid
CID 107216248
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-(2-amino-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 63767365
(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 99822665
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 102739063

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide (CID 103834195) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is UBZGLCCETOSJQP-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(2)8-18(16,17)14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103834195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).