4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C12H22N4O3S — CID 102955223

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CCC1C
InChIInChI=1S/C12H22N4O3S/c1-8-5-6-16(7-10(8)19-4)20(17,18)11-9(2)15(3)14-12(11)13/h8,10H,5-7H2,1-4H3,(H2,13,14)
InChIKeyVPBWLLPFCZKYCX-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.36
Rot. Bonds3

About 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 102955223) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID102955223
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CCC1C
InChIInChI=1S/C12H22N4O3S/c1-8-5-6-16(7-10(8)19-4)20(17,18)11-9(2)15(3)14-12(11)13/h8,10H,5-7H2,1-4H3,(H2,13,14)
InChIKeyVPBWLLPFCZKYCX-UHFFFAOYSA-N
XLogP0.36
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
1,5-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105359039
5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82460021
5-amino-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-sulfonamide
CID 82460031
1,5-Dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
CID 102742714
[1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777074
[4-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931816
1-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 102955129
4-(3-Methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955313
3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 103338407
1,5-Dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 103504988
4-(3-Methoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 103530214

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 102955223) is 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is COC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is VPBWLLPFCZKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8-5-6-16(7-10(8)19-4)20(17,18)11-9(2)15(3)14-12(11)13/h8,10H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 302.40 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 102955223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).