4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

C10H18N4O2S — CID 55162312

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCCC2(C)C)c(N)n1
InChIInChI=1S/C10H18N4O2S/c1-10(2)5-4-6-14(10)17(15,16)8-7-13(3)12-9(8)11/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyUASUJUYTQSHCJH-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.57
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (PubChem CID 55162312) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
PubChem CID55162312
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCCC2(C)C)c(N)n1
InChIInChI=1S/C10H18N4O2S/c1-10(2)5-4-6-14(10)17(15,16)8-7-13(3)12-9(8)11/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyUASUJUYTQSHCJH-UHFFFAOYSA-N
XLogP0.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (CID 55162312) is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is Cn1cc(S(=O)(=O)N2CCCC2(C)C)c(N)n1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The InChIKey is UASUJUYTQSHCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-10(2)5-4-6-14(10)17(15,16)8-7-13(3)12-9(8)11/h7H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine has a molecular weight of 258.35 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 55162312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).