N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H22N4O4S — CID 110626674

IUPACN-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H22N4O4S/c19-14(13-11-3-1-2-4-12(11)16-17-13)15-5-10-23(20,21)18-6-8-22-9-7-18/h1-10H2,(H,15,19)(H,16,17)
InChIKeyWOIWMOFVOHPQBG-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.32
Rot. Bonds5

About N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110626674) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110626674
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCOCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H22N4O4S/c19-14(13-11-3-1-2-4-12(11)16-17-13)15-5-10-23(20,21)18-6-8-22-9-7-18/h1-10H2,(H,15,19)(H,16,17)
InChIKeyWOIWMOFVOHPQBG-UHFFFAOYSA-N
XLogP-0.32
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489591
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622690
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 166414899
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110626674) is N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCCS(=O)(=O)N1CCOCC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WOIWMOFVOHPQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c19-14(13-11-3-1-2-4-12(11)16-17-13)15-5-10-23(20,21)18-6-8-22-9-7-18/h1-10H2,(H,15,19)(H,16,17).
What are the key properties of N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110626674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).