2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide

C8H16N4O2S — CID 107462576

IUPAC2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)CCN
InChIInChI=1S/C8H16N4O2S/c1-3-7-8(6-12(2)10-7)11-15(13,14)5-4-9/h6,11H,3-5,9H2,1-2H3
InChIKeyKBPDTMUFYZSWHJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.32
Rot. Bonds5

About 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide (PubChem CID 107462576) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
PubChem CID107462576
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)CCN
InChIInChI=1S/C8H16N4O2S/c1-3-7-8(6-12(2)10-7)11-15(13,14)5-4-9/h6,11H,3-5,9H2,1-2H3
InChIKeyKBPDTMUFYZSWHJ-UHFFFAOYSA-N
XLogP-0.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 107463808
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
CID 106090358
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
4-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazole-5-sulfonamide
CID 106090355
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylsulfonylbutanamide
CID 103951288
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide (CID 107462576) is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide is CCc1nn(C)cc1NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is KBPDTMUFYZSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-7-8(6-12(2)10-7)11-15(13,14)5-4-9/h6,11H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide?
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 107462576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).