2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine

C11H20N4O3S — CID 104961664

IUPAC2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
SMILESC[C@@H]1CN(S(=O)(=O)c2cnn(CCN)c2)C[C@H](C)O1
InChIInChI=1S/C11H20N4O3S/c1-9-6-15(7-10(2)18-9)19(16,17)11-5-13-14(8-11)4-3-12/h5,8-10H,3-4,6-7,12H2,1-2H3/t9-,10+
InChIKeyAWXFVGHGZYXUTJ-AOOOYVTPSA-N
MW288.37 g/mol
LogP-0.36
Rot. Bonds4

About 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine

2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine (PubChem CID 104961664) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
PubChem CID104961664
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
SMILESC[C@@H]1CN(S(=O)(=O)c2cnn(CCN)c2)C[C@H](C)O1
InChIInChI=1S/C11H20N4O3S/c1-9-6-15(7-10(2)18-9)19(16,17)11-5-13-14(8-11)4-3-12/h5,8-10H,3-4,6-7,12H2,1-2H3/t9-,10+
InChIKeyAWXFVGHGZYXUTJ-AOOOYVTPSA-N
XLogP-0.36
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
CID 102971787
2-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]-N-ethylethanamine
CID 79186912
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 79188745
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
(3aR,5S,6S,7aS)-2-(1-propylpyrazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56899644
(3R,4S)-4-propyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 72874326
3-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 62988175
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine
CID 106317226
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine (CID 104961664) is 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine is C[C@@H]1CN(S(=O)(=O)c2cnn(CCN)c2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine?
The InChIKey is AWXFVGHGZYXUTJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9-6-15(7-10(2)18-9)19(16,17)11-5-13-14(8-11)4-3-12/h5,8-10H,3-4,6-7,12H2,1-2H3/t9-,10+.
What are the key properties of 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine?
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 104961664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).