[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine

C10H18N4O2S — CID 102783777

IUPAC[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cnn(C)c2)C1CN
InChIInChI=1S/C10H18N4O2S/c1-8-3-4-14(10(8)5-11)17(15,16)9-6-12-13(2)7-9/h6-8,10H,3-5,11H2,1-2H3
InChIKeyZHSLADBQAJOPCN-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.22
Rot. Bonds3

About [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine

[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 102783777) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID102783777
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cnn(C)c2)C1CN
InChIInChI=1S/C10H18N4O2S/c1-8-3-4-14(10(8)5-11)17(15,16)9-6-12-13(2)7-9/h6-8,10H,3-5,11H2,1-2H3
InChIKeyZHSLADBQAJOPCN-UHFFFAOYSA-N
XLogP-0.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine (CID 102783777) is [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2cnn(C)c2)C1CN.
What is the InChIKey of [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is ZHSLADBQAJOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-3-4-14(10(8)5-11)17(15,16)9-6-12-13(2)7-9/h6-8,10H,3-5,11H2,1-2H3.
What are the key properties of [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine?
[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 258.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).