[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine

C11H20N4O3S — CID 122556734

IUPAC[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C11H20N4O3S/c1-3-15-11(6-9(2)13-15)19(16,17)14-4-5-18-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3
InChIKeyJWIRKMLZYWRWQJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.44
Rot. Bonds4

About [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine

[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 122556734) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
PubChem CID122556734
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
SMILESCCn1nc(C)cc1S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C11H20N4O3S/c1-3-15-11(6-9(2)13-15)19(16,17)14-4-5-18-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3
InChIKeyJWIRKMLZYWRWQJ-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 125440989
[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 125445860
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
1-(2-ethyl-5-methylpyrazol-3-yl)sulfonyl-3-methylpiperazine;hydrochloride
CID 154908217
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine (CID 122556734) is [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine is CCn1nc(C)cc1S(=O)(=O)N1CCOC(CN)C1.
What is the InChIKey of [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is JWIRKMLZYWRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-15-11(6-9(2)13-15)19(16,17)14-4-5-18-10(7-12)8-14/h6,10H,3-5,7-8,12H2,1-2H3.
What are the key properties of [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine?
[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 288.37 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 122556734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).