(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide

C15H24N4O3S — CID 124730260

IUPAC(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
SMILESC[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C15H24N4O3S/c1-11-6-8-23(21,22)9-7-19(11)15(20)16-13-4-3-5-14-12(13)10-18(2)17-14/h10-11,13H,3-9H2,1-2H3,(H,16,20)/t11-,13-/m1/s1
InChIKeyHINZZWSFOVEOQF-DGCLKSJQSA-N
MW340.45 g/mol
LogP1.02
Rot. Bonds1

About (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide

(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide (PubChem CID 124730260) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
PubChem CID124730260
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
SMILESC[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCCc2nn(C)cc21
InChIInChI=1S/C15H24N4O3S/c1-11-6-8-23(21,22)9-7-19(11)15(20)16-13-4-3-5-14-12(13)10-18(2)17-14/h10-11,13H,3-9H2,1-2H3,(H,16,20)/t11-,13-/m1/s1
InChIKeyHINZZWSFOVEOQF-DGCLKSJQSA-N
XLogP1.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)morpholine-4-carboxamide
CID 136541064
1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 167954670
4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 119038060
1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea
CID 136540795
4-amino-3,5-dichloro-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 124874994
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 100746456
(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 100746402
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638267
(2R)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638279
1-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124849739
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124855059
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 138992929

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The IUPAC name of (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide (CID 124730260) is (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide is C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCCc2nn(C)cc21.
What is the InChIKey of (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The InChIKey is HINZZWSFOVEOQF-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11-6-8-23(21,22)9-7-19(11)15(20)16-13-4-3-5-14-12(13)10-18(2)17-14/h10-11,13H,3-9H2,1-2H3,(H,16,20)/t11-,13-/m1/s1.
What are the key properties of (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide?
(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 124730260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).