2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

C10H17N3O3S — CID 47429921

IUPAC2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)(C)O1
InChIInChI=1S/C10H17N3O3S/c1-8-6-13(7-10(2,3)16-8)17(14,15)9-4-11-12-5-9/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyUHMZFZAKYXPBRD-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.60
Rot. Bonds2

About 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 47429921) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID47429921
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)(C)O1
InChIInChI=1S/C10H17N3O3S/c1-8-6-13(7-10(2,3)16-8)17(14,15)9-4-11-12-5-9/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyUHMZFZAKYXPBRD-UHFFFAOYSA-N
XLogP0.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987
4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629637
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 115602772
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2,2,6-trimethylmorpholine
CID 48629728
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 47429921) is 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is CC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is UHMZFZAKYXPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-6-13(7-10(2,3)16-8)17(14,15)9-4-11-12-5-9/h4-5,8H,6-7H2,1-3H3,(H,11,12).
What are the key properties of 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine has a molecular weight of 259.33 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 47429921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).