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

C12H17NO3S — CID 113240016

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C12H17NO3S/c1-2-7-17(15,16)13-12-10-6-4-3-5-9(10)8-11(12)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyGWMAKIRYEQDSPO-NEPJUHHUSA-N
MW255.34 g/mol
LogP0.97
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide (PubChem CID 113240016) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
PubChem CID113240016
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C12H17NO3S/c1-2-7-17(15,16)13-12-10-6-4-3-5-9(10)8-11(12)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyGWMAKIRYEQDSPO-NEPJUHHUSA-N
XLogP0.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.97
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]-2-methylpropane-1-sulfonamide
CID 103834195
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-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
CID 97335574
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)propane-1-sulfonamide
CID 61384267
(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]propanamide
CID 15432723
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide (CID 113240016) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide is CCCS(=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]propane-1-sulfonamide?
The InChIKey is GWMAKIRYEQDSPO-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-7-17(15,16)13-12-10-6-4-3-5-9(10)8-11(12)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.97, 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]propane-1-sulfonamide is sourced from PubChem (CID 113240016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).