[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine

C12H22N4O2S — CID 103441557

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1CN
InChIInChI=1S/C12H22N4O2S/c1-8-4-5-16(11(6-8)7-13)19(17,18)12-9(2)14-15-10(12)3/h8,11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyOEDFVJGHXYMDGY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.77
Rot. Bonds3

About [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441557) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441557
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1CN
InChIInChI=1S/C12H22N4O2S/c1-8-4-5-16(11(6-8)7-13)19(17,18)12-9(2)14-15-10(12)3/h8,11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyOEDFVJGHXYMDGY-UHFFFAOYSA-N
XLogP0.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.77
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]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine (CID 103441557) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1CN.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is OEDFVJGHXYMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-8-4-5-16(11(6-8)7-13)19(17,18)12-9(2)14-15-10(12)3/h8,11H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 286.40 g/mol, XLogP of 0.77, 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]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).