1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate

C14H17N3O4S — CID 175983862

IUPAC1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)Oc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C14H17N3O4S/c1-22(19,20)17-6-4-10(5-7-17)14(18)21-12-2-3-13-11(8-12)9-15-16-13/h2-3,8-10H,4-7H2,1H3,(H,15,16)
InChIKeyAXHAPFMBKSETDR-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.14
Rot. Bonds3

About 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate

1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 175983862) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID175983862
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCS(=O)(=O)N1CCC(C(=O)Oc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C14H17N3O4S/c1-22(19,20)17-6-4-10(5-7-17)14(18)21-12-2-3-13-11(8-12)9-15-16-13/h2-3,8-10H,4-7H2,1H3,(H,15,16)
InChIKeyAXHAPFMBKSETDR-UHFFFAOYSA-N
XLogP1.14
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorobenzoyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 32759546
1H-indazol-5-yl carbamate
CID 145404864
1H-indazol-5-yl 2-hydroxyacetate
CID 117051739
(2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate
CID 24603261
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 55517518
5-(4-methylsulfonylpiperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine
CID 170685662
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
3-(1H-indazol-5-yloxy)cyclopentan-1-ol
CID 22933692
(4-chloronaphthalen-1-yl) 1-methylsulfonylpiperidine-4-carboxylate
CID 24603293

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate (CID 175983862) is 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate is CS(=O)(=O)N1CCC(C(=O)Oc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is AXHAPFMBKSETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-22(19,20)17-6-4-10(5-7-17)14(18)21-12-2-3-13-11(8-12)9-15-16-13/h2-3,8-10H,4-7H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate?
1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 175983862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).