(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

C12H21N3O3S — CID 70768374

IUPAC(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDLKDKWOBOAZHST-NSHDSACASA-N
MW287.38 g/mol
LogP0.84
Rot. Bonds3

About (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 70768374) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
PubChem CID70768374
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDLKDKWOBOAZHST-NSHDSACASA-N
XLogP0.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806339
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8901144
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide
CID 9110830
ethyl 4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
CID 3245520
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772867
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 155541234
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 60912374
2-methoxy-N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 91906156
1,3,5-Trimethyl-4-({1-methyl-decahydropyrido[3,4-E][1,4]oxazepin-8-YL}sulfonyl)-1H-pyrazole
CID 124072117
N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75520566
N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 129539332

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (CID 70768374) is (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is CC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is DLKDKWOBOAZHST-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 287.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 70768374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).