4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C12H21N3O4S2 — CID 90586561

IUPAC4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O4S2/c1-9-12(10(2)14(3)13-9)21(18,19)15-7-5-11(6-8-15)20(4,16)17/h11H,5-8H2,1-4H3
InChIKeyBJQRODRUCUOQAZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.23
Rot. Bonds3

About 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 90586561) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID90586561
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O4S2/c1-9-12(10(2)14(3)13-9)21(18,19)15-7-5-11(6-8-15)20(4,16)17/h11H,5-8H2,1-4H3
InChIKeyBJQRODRUCUOQAZ-UHFFFAOYSA-N
XLogP0.23
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987891
4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 91918299
1-(cyclobutylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 126840769
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 43361719
4-(3,4-dichlorophenoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 72548614

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 90586561) is 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is BJQRODRUCUOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9-12(10(2)14(3)13-9)21(18,19)15-7-5-11(6-8-15)20(4,16)17/h11H,5-8H2,1-4H3.
What are the key properties of 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 335.45 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 90586561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).