2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide

C11H20N4O3S — CID 103854198

IUPAC2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)c2cn[nH]c2)CC(C)O1
InChIInChI=1S/C11H20N4O3S/c1-8-6-15(7-9(2)18-8)19(16,17)14-10(3)11-4-12-13-5-11/h4-5,8-10,14H,6-7H2,1-3H3,(H,12,13)
InChIKeySUTFJLPYINQJPJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.41
Rot. Bonds4

About 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide (PubChem CID 103854198) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
PubChem CID103854198
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(C)c2cn[nH]c2)CC(C)O1
InChIInChI=1S/C11H20N4O3S/c1-8-6-15(7-9(2)18-8)19(16,17)14-10(3)11-4-12-13-5-11/h4-5,8-10,14H,6-7H2,1-3H3,(H,12,13)
InChIKeySUTFJLPYINQJPJ-UHFFFAOYSA-N
XLogP0.41
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 106208912
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
(2R,6R)-2,6-dimethyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]morpholine-4-sulfonamide
CID 51930251
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
CID 103854209
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
N-(1-hydroxybutan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43501588
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
5-chloro-1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-sulfonamide
CID 103854127
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide (CID 103854198) is 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC(C)c2cn[nH]c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide?
The InChIKey is SUTFJLPYINQJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-6-15(7-9(2)18-8)19(16,17)14-10(3)11-4-12-13-5-11/h4-5,8-10,14H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 103854198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).