3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide

C13H18N4O3S — CID 34125372

IUPAC3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)20-15-8)21(18,19)16-11-5-4-6-12-10(11)7-14-17(12)3/h7,11,16H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyYBCVZOTWYVCFSE-NSHDSACASA-N
MW310.38 g/mol
LogP1.38
Rot. Bonds3

About 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 34125372) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide
PubChem CID34125372
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)20-15-8)21(18,19)16-11-5-4-6-12-10(11)7-14-17(12)3/h7,11,16H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyYBCVZOTWYVCFSE-NSHDSACASA-N
XLogP1.38
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

3,5-dimethyl-N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)isoxazole-4-sulfonamide
CID 72718591
3,5-dimethyl-4-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylsulfonyl)isoxazole
CID 53185454
N-((1-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 71808434
N-[(S)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100034061
2-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 132390523
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25366092
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25366097
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-4-isoxazolesulfonamide
CID 45193677
3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 20965996
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylisoxazole-4-sulfonamide
CID 22578609
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47959066
3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,2-oxazole-4-sulfonamide
CID 75460909

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide (CID 34125372) is 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCc2c1cnn2C.
What is the InChIKey of 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YBCVZOTWYVCFSE-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-13(9(2)20-15-8)21(18,19)16-11-5-4-6-12-10(11)7-14-17(12)3/h7,11,16H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 34125372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).