N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide

C10H20N4O2S — CID 106090358

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)C(C)CNC
InChIInChI=1S/C10H20N4O2S/c1-5-9-10(7-14(4)12-9)13-17(15,16)8(2)6-11-3/h7-8,11,13H,5-6H2,1-4H3
InChIKeyXQHJLUVBJSUGNN-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.33
Rot. Bonds6

About N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106090358) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106090358
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)C(C)CNC
InChIInChI=1S/C10H20N4O2S/c1-5-9-10(7-14(4)12-9)13-17(15,16)8(2)6-11-3/h7-8,11,13H,5-6H2,1-4H3
InChIKeyXQHJLUVBJSUGNN-UHFFFAOYSA-N
XLogP0.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide (CID 106090358) is N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)C(C)CNC.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is XQHJLUVBJSUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-5-9-10(7-14(4)12-9)13-17(15,16)8(2)6-11-3/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106090358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).