N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide

C13H17N3OS — CID 113246168

IUPACN-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3OS/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZOZXVDSUDHKDEZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.43
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide (PubChem CID 113246168) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
PubChem CID113246168
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3OS/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyZOZXVDSUDHKDEZ-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
CID 66166001
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
CID 62518655
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide (CID 113246168) is N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide is CSC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide?
The InChIKey is ZOZXVDSUDHKDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 113246168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).