1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol

C12H18N2O3S — CID 115969830

IUPAC1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)NS(=O)(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C12H18N2O3S/c1-8(2)13-18(16,17)14-12-10-6-4-3-5-9(10)7-11(12)15/h3-6,8,11-15H,7H2,1-2H3
InChIKeyWVXCUJFBZJDLAJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.48
Rot. Bonds4

About 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol

1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 115969830) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID115969830
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)NS(=O)(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C12H18N2O3S/c1-8(2)13-18(16,17)14-12-10-6-4-3-5-9(10)7-11(12)15/h3-6,8,11-15H,7H2,1-2H3
InChIKeyWVXCUJFBZJDLAJ-UHFFFAOYSA-N
XLogP0.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
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,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 102739063
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
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
1-N-(methylsulfamoyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 114812781
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-(2-amino-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 63767365

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol (CID 115969830) is 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol is CC(C)NS(=O)(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is WVXCUJFBZJDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)13-18(16,17)14-12-10-6-4-3-5-9(10)7-11(12)15/h3-6,8,11-15H,7H2,1-2H3.
What are the key properties of 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 270.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 115969830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).