N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide

C7H13N3O2S — CID 22207761

IUPACN-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C7H13N3O2S/c1-3-13(11,12)8-6-7-4-5-10(2)9-7/h4-5,8H,3,6H2,1-2H3
InChIKeyQFRLWIGIDSAFJD-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.14
Rot. Bonds4

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

N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide (PubChem CID 22207761) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
PubChem CID22207761
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C7H13N3O2S/c1-3-13(11,12)8-6-7-4-5-10(2)9-7/h4-5,8H,3,6H2,1-2H3
InChIKeyQFRLWIGIDSAFJD-UHFFFAOYSA-N
XLogP-0.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
2-(4-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872802
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 82872630
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide (CID 22207761) is N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The InChIKey is QFRLWIGIDSAFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-13(11,12)8-6-7-4-5-10(2)9-7/h4-5,8H,3,6H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide has a molecular weight of 203.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 22207761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).