N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

C17H22N4O2S — CID 136588374

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)N[C@@H]1Cc3ccccc3[C@H]1N)CCCC2
InChIInChI=1S/C17H22N4O2S/c1-21-17(13-8-4-5-9-14(13)19-21)24(22,23)20-15-10-11-6-2-3-7-12(11)16(15)18/h2-3,6-7,15-16,20H,4-5,8-10,18H2,1H3/t15-,16-/m1/s1
InChIKeySVGAGUZOUYZCLI-HZPDHXFCSA-N
MW346.46 g/mol
LogP1.20
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (PubChem CID 136588374) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
PubChem CID136588374
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)N[C@@H]1Cc3ccccc3[C@H]1N)CCCC2
InChIInChI=1S/C17H22N4O2S/c1-21-17(13-8-4-5-9-14(13)19-21)24(22,23)20-15-10-11-6-2-3-7-12(11)16(15)18/h2-3,6-7,15-16,20H,4-5,8-10,18H2,1H3/t15-,16-/m1/s1
InChIKeySVGAGUZOUYZCLI-HZPDHXFCSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 138021151
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018471
N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 136569966
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70784279
5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
CID 107213629
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpyrazole-3-sulfonamide
CID 104773010
N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 167854843
2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018134
1,3,5-trimethyl-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]pyrazole-4-sulfonamide
CID 95331561
N-(2-acetyl-1,3-dihydroisoindol-5-yl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonamide
CID 167841593
N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 154766941

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (CID 136588374) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is Cn1nc2c(c1S(=O)(=O)N[C@@H]1Cc3ccccc3[C@H]1N)CCCC2.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The InChIKey is SVGAGUZOUYZCLI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-21-17(13-8-4-5-9-14(13)19-21)24(22,23)20-15-10-11-6-2-3-7-12(11)16(15)18/h2-3,6-7,15-16,20H,4-5,8-10,18H2,1H3/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is sourced from PubChem (CID 136588374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).