(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol

C12H18N2O4S — CID 102739063

IUPAC(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCOCCNS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H18N2O4S/c1-18-7-6-13-19(16,17)14-12-10-5-3-2-4-9(10)8-11(12)15/h2-5,11-15H,6-8H2,1H3/t11-,12+/m0/s1
InChIKeyUJTUWUIPECAHHA-NWDGAFQWSA-N
MW286.35 g/mol
LogP-0.28
Rot. Bonds6

About (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 102739063) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID102739063
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCOCCNS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H18N2O4S/c1-18-7-6-13-19(16,17)14-12-10-5-3-2-4-9(10)8-11(12)15/h2-5,11-15H,6-8H2,1H3/t11-,12+/m0/s1
InChIKeyUJTUWUIPECAHHA-NWDGAFQWSA-N
XLogP-0.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(ethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 113340144
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
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]-2-methylpropane-1-sulfonamide
CID 103834195
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
trans-(1R,2R)-2-(2-methoxyethylsulfamoylamino)cyclohexan-1-ol
CID 102739274
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-sulfonamide
CID 103825580
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
CID 107222299

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol (CID 102739063) is (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol is COCCNS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is UJTUWUIPECAHHA-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-7-6-13-19(16,17)14-12-10-5-3-2-4-9(10)8-11(12)15/h2-5,11-15H,6-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 286.35 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2-methoxyethylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 102739063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).