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

C10H18N4O2S — CID 25247892

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-9(11)4-6-14/h9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyUFPRSGWIUZQXQT-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.14
Rot. Bonds2

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine (PubChem CID 25247892) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
PubChem CID25247892
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-9(11)4-6-14/h9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyUFPRSGWIUZQXQT-UHFFFAOYSA-N
XLogP0.14
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine (CID 25247892) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The InChIKey is UFPRSGWIUZQXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-10(8(2)13-12-7)17(15,16)14-5-3-9(11)4-6-14/h9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine has a molecular weight of 258.35 g/mol, XLogP of 0.14, 2 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]piperidin-4-amine is sourced from PubChem (CID 25247892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).