2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine

C11H21N3O2S — CID 81188101

IUPAC2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
SMILESCCc1cc(CS(=O)(=O)C(C)CN)n(CC)n1
InChIInChI=1S/C11H21N3O2S/c1-4-10-6-11(14(5-2)13-10)8-17(15,16)9(3)7-12/h6,9H,4-5,7-8,12H2,1-3H3
InChIKeyRYPXMWSFZLOEDF-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.73
Rot. Bonds6

About 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine

2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine (PubChem CID 81188101) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
PubChem CID81188101
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
SMILESCCc1cc(CS(=O)(=O)C(C)CN)n(CC)n1
InChIInChI=1S/C11H21N3O2S/c1-4-10-6-11(14(5-2)13-10)8-17(15,16)9(3)7-12/h6,9H,4-5,7-8,12H2,1-3H3
InChIKeyRYPXMWSFZLOEDF-UHFFFAOYSA-N
XLogP0.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine (CID 81188101) is 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine is CCc1cc(CS(=O)(=O)C(C)CN)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine?
The InChIKey is RYPXMWSFZLOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-10-6-11(14(5-2)13-10)8-17(15,16)9(3)7-12/h6,9H,4-5,7-8,12H2,1-3H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine?
2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine has a molecular weight of 259.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 81188101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).