1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine

C14H26N4O2S — CID 114507117

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1CC
InChIInChI=1S/C14H26N4O2S/c1-5-12-9-18(8-7-13(12)15-6-2)21(19,20)14-10(3)16-17-11(14)4/h12-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyUIIKJNAQJFNLSQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.43
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine (PubChem CID 114507117) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
PubChem CID114507117
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1CC
InChIInChI=1S/C14H26N4O2S/c1-5-12-9-18(8-7-13(12)15-6-2)21(19,20)14-10(3)16-17-11(14)4/h12-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyUIIKJNAQJFNLSQ-UHFFFAOYSA-N
XLogP1.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 3244235
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
CID 5047365
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepane
CID 3240803
N-cyclohexyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 5307491
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43243326
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 4074310
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 5083161

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine (CID 114507117) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1CC.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine?
The InChIKey is UIIKJNAQJFNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-12-9-18(8-7-13(12)15-6-2)21(19,20)14-10(3)16-17-11(14)4/h12-13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine has a molecular weight of 314.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine is sourced from PubChem (CID 114507117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).