2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

C9H17N3O2S — CID 78924573

IUPAC2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1ccn(C)n1
InChIInChI=1S/C9H17N3O2S/c1-3-15(13,14)7-5-10-8-9-4-6-12(2)11-9/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyACJZWFKMVZVNOE-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.06
Rot. Bonds6

About 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 78924573) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID78924573
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1ccn(C)n1
InChIInChI=1S/C9H17N3O2S/c1-3-15(13,14)7-5-10-8-9-4-6-12(2)11-9/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyACJZWFKMVZVNOE-UHFFFAOYSA-N
XLogP-0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
N-[[1-(3-ethylsulfonylpropyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 65097306
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 112689875

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 78924573) is 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is CCS(=O)(=O)CCNCc1ccn(C)n1.
What is the InChIKey of 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ACJZWFKMVZVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-15(13,14)7-5-10-8-9-4-6-12(2)11-9/h4,6,10H,3,5,7-8H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 231.32 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 78924573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).