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

C11H21ClN4O2S — CID 119998465

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(CN)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-4-10(6-12)7-15;/h10H,3-7,12H2,1-2H3,(H,13,14);1H
InChIKeyVFYIVIQXKPZHMJ-UHFFFAOYSA-N
MW308.84 g/mol
LogP0.81
Rot. Bonds3

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

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119998465) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119998465
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(CN)C1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-4-10(6-12)7-15;/h10H,3-7,12H2,1-2H3,(H,13,14);1H
InChIKeyVFYIVIQXKPZHMJ-UHFFFAOYSA-N
XLogP0.81
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.81
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-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride (CID 119998465) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(CN)C1.Cl.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is VFYIVIQXKPZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-4-10(6-12)7-15;/h10H,3-7,12H2,1-2H3,(H,13,14);1H.
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.81, 3 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-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119998465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).