3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine

C11H18ClN3O2S — CID 102962583

IUPAC3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C11H18ClN3O2S/c1-7-4-5-15(6-10(7)12)18(16,17)11-8(2)13-14-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyMTFFUIIDLZYXJP-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.66
Rot. Bonds2

About 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine

3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine (PubChem CID 102962583) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
PubChem CID102962583
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)C(Cl)C1
InChIInChI=1S/C11H18ClN3O2S/c1-7-4-5-15(6-10(7)12)18(16,17)11-8(2)13-14-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyMTFFUIIDLZYXJP-UHFFFAOYSA-N
XLogP1.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
CID 131922749
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 60959114
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The IUPAC name of 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine (CID 102962583) is 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine.
What is the SMILES notation for 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The canonical SMILES for 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)C(Cl)C1.
What is the InChIKey of 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The InChIKey is MTFFUIIDLZYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-7-4-5-15(6-10(7)12)18(16,17)11-8(2)13-14-9(11)3/h7,10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine has a molecular weight of 291.80 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine is sourced from PubChem (CID 102962583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).