N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide

C8H15N3O2S — CID 104626606

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C8H15N3O2S/c1-3-14(12,13)9-6-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyVKLFCHIHMDBFBF-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.10
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide

N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 104626606) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
PubChem CID104626606
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C8H15N3O2S/c1-3-14(12,13)9-6-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyVKLFCHIHMDBFBF-UHFFFAOYSA-N
XLogP-0.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
CID 104626600
methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
CID 104626602
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
4-amino-2,6-dibromo-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103937
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
3-amino-2,4-difluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103901
3-(aminomethyl)-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106106654

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide (CID 104626606) is N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccn(C)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is VKLFCHIHMDBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-14(12,13)9-6-4-8-5-7-11(2)10-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 104626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).