N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide

C17H24N4O3S — CID 125176476

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
SMILESCc1ccc2c(c1)c(CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)nn2C
InChIInChI=1S/C17H24N4O3S/c1-12-4-5-16-14(8-12)15(19-21(16)3)9-18-17(22)10-20(2)13-6-7-25(23,24)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyOFENAYOBEUNTBB-ZDUSSCGKSA-N
MW364.47 g/mol
LogP0.62
Rot. Bonds5

About N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide

N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide (PubChem CID 125176476) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
PubChem CID125176476
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
SMILESCc1ccc2c(c1)c(CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)nn2C
InChIInChI=1S/C17H24N4O3S/c1-12-4-5-16-14(8-12)15(19-21(16)3)9-18-17(22)10-20(2)13-6-7-25(23,24)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyOFENAYOBEUNTBB-ZDUSSCGKSA-N
XLogP0.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide with MolForge

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Related Compounds

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 42917926
N-(3,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 29112590
1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 52515080
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 118795526
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996895
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea
CID 125443471
ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate
CID 50951872

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide (CID 125176476) is N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide is Cc1ccc2c(c1)c(CNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)nn2C.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
The InChIKey is OFENAYOBEUNTBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12-4-5-16-14(8-12)15(19-21(16)3)9-18-17(22)10-20(2)13-6-7-25(23,24)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide?
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide has a molecular weight of 364.47 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide is sourced from PubChem (CID 125176476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).