(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide

C16H26N4O4S — CID 92626936

IUPAC(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC2(C)COC2)C1
InChIInChI=1S/C16H26N4O4S/c1-12-14(8-19(3)18-12)25(22,23)20-6-4-5-13(7-20)15(21)17-9-16(2)10-24-11-16/h8,13H,4-7,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyXCNAXLLTNNSUJQ-CYBMUJFWSA-N
MW370.48 g/mol
LogP0.28
Rot. Bonds5

About (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide

(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 92626936) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
PubChem CID92626936
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC2(C)COC2)C1
InChIInChI=1S/C16H26N4O4S/c1-12-14(8-19(3)18-12)25(22,23)20-6-4-5-13(7-20)15(21)17-9-16(2)10-24-11-16/h8,13H,4-7,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyXCNAXLLTNNSUJQ-CYBMUJFWSA-N
XLogP0.28
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023425
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
(3S)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 27527792
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 4776817
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 51388637
(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide (CID 92626936) is (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC2(C)COC2)C1.
What is the InChIKey of (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XCNAXLLTNNSUJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-12-14(8-19(3)18-12)25(22,23)20-6-4-5-13(7-20)15(21)17-9-16(2)10-24-11-16/h8,13H,4-7,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92626936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).