5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide

C13H16N4O3S — CID 107213629

IUPAC5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H16N4O3S/c1-17-7-15-12(14)13(17)21(19,20)16-11-9-5-3-2-4-8(9)6-10(11)18/h2-5,7,10-11,16,18H,6,14H2,1H3/t10-,11+/m0/s1
InChIKeyUINRNLSLYHQGFB-WDEREUQCSA-N
MW308.36 g/mol
LogP-0.06
Rot. Bonds3

About 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide

5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide (PubChem CID 107213629) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
PubChem CID107213629
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H16N4O3S/c1-17-7-15-12(14)13(17)21(19,20)16-11-9-5-3-2-4-8(9)6-10(11)18/h2-5,7,10-11,16,18H,6,14H2,1H3/t10-,11+/m0/s1
InChIKeyUINRNLSLYHQGFB-WDEREUQCSA-N
XLogP-0.06
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
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
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61367599
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847936
5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
CID 54601102
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
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 6736413
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 97245674
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016
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 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide (CID 107213629) is 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide?
The InChIKey is UINRNLSLYHQGFB-WDEREUQCSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17-7-15-12(14)13(17)21(19,20)16-11-9-5-3-2-4-8(9)6-10(11)18/h2-5,7,10-11,16,18H,6,14H2,1H3/t10-,11+/m0/s1.
What are the key properties of 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide?
5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107213629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).