4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine

C9H15N3O3S — CID 3245583

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11)
InChIKeyIBUIILNAJLHSRC-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.05
Rot. Bonds2

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine (PubChem CID 3245583) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
PubChem CID3245583
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11)
InChIKeyIBUIILNAJLHSRC-UHFFFAOYSA-N
XLogP0.05
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
CID 5047365
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
CID 4962643
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
3,5-Dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 4736860
N-ethyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43263710
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3636534
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247892
N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide
CID 43606994
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 3331839

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine (CID 3245583) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine?
The InChIKey is IBUIILNAJLHSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine has a molecular weight of 245.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine is sourced from PubChem (CID 3245583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).