1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride

C12H22ClN3O2S — CID 126460444

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)CC(C)C1.Cl
InChIInChI=1S/C12H21N3O2S.ClH/c1-8-5-9(2)7-15(6-8)18(16,17)12-10(3)13-14-11(12)4;/h8-9H,5-7H2,1-4H3,(H,13,14);1H
InChIKeyMDOLKLGZOSEQGY-UHFFFAOYSA-N
MW307.85 g/mol
LogP2.11
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride (PubChem CID 126460444) has the molecular formula C12H22ClN3O2S and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride
PubChem CID126460444
Molecular FormulaC12H22ClN3O2S
Molecular Weight307.85 g/mol
Exact Mass307.11
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)CC(C)C1.Cl
InChIInChI=1S/C12H21N3O2S.ClH/c1-8-5-9(2)7-15(6-8)18(16,17)12-10(3)13-14-11(12)4;/h8-9H,5-7H2,1-4H3,(H,13,14);1H
InChIKeyMDOLKLGZOSEQGY-UHFFFAOYSA-N
XLogP2.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride (CID 126460444) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(C)CC(C)C1.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride?
The InChIKey is MDOLKLGZOSEQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S.ClH/c1-8-5-9(2)7-15(6-8)18(16,17)12-10(3)13-14-11(12)4;/h8-9H,5-7H2,1-4H3,(H,13,14);1H.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride has a molecular weight of 307.85 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 126460444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).