2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine

C8H15N3O2S — CID 165472927

IUPAC2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine
SMILESCC(C)(CN)n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C8H15N3O2S/c1-8(2,6-9)11-5-7(4-10-11)14(3,12)13/h4-5H,6,9H2,1-3H3
InChIKeyLOMZMWDRPZJIEA-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.02
Rot. Bonds3

About 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine

2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine (PubChem CID 165472927) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine
PubChem CID165472927
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine
SMILESCC(C)(CN)n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C8H15N3O2S/c1-8(2,6-9)11-5-7(4-10-11)14(3,12)13/h4-5H,6,9H2,1-3H3
InChIKeyLOMZMWDRPZJIEA-UHFFFAOYSA-N
XLogP-0.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine (CID 165472927) is 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine is CC(C)(CN)n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine?
The InChIKey is LOMZMWDRPZJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-8(2,6-9)11-5-7(4-10-11)14(3,12)13/h4-5H,6,9H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine?
2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine has a molecular weight of 217.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 165472927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).