N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide

C14H19N3O3S — CID 131934698

IUPACN-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)10-7-14(18)15-8-4-9-17-13-6-3-2-5-12(13)11-16-17/h2-3,5-6,11H,4,7-10H2,1H3,(H,15,18)
InChIKeyKERXZBBKTBJUAE-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.98
Rot. Bonds7

About N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide

N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide (PubChem CID 131934698) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
PubChem CID131934698
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)10-7-14(18)15-8-4-9-17-13-6-3-2-5-12(13)11-16-17/h2-3,5-6,11H,4,7-10H2,1H3,(H,15,18)
InChIKeyKERXZBBKTBJUAE-UHFFFAOYSA-N
XLogP0.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
CID 77092983
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
4-indazol-1-ylbutan-1-ol
CID 62142094
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-3-indazol-1-ylpropanamide
CID 139937747
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide (CID 131934698) is N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCCCn1ncc2ccccc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is KERXZBBKTBJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)10-7-14(18)15-8-4-9-17-13-6-3-2-5-12(13)11-16-17/h2-3,5-6,11H,4,7-10H2,1H3,(H,15,18).
What are the key properties of N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide?
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 131934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).