4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine

C14H25N3O3S — CID 42283753

IUPAC4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
SMILESCC(C)n1cc(S(=O)(=O)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O3S/c1-11(2)17-10-12(13(15-17)14(3,4)5)21(18,19)16-6-8-20-9-7-16/h10-11H,6-9H2,1-5H3
InChIKeyUAFUSUKRDHAWOL-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine

4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 42283753) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
PubChem CID42283753
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
SMILESCC(C)n1cc(S(=O)(=O)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O3S/c1-11(2)17-10-12(13(15-17)14(3,4)5)21(18,19)16-6-8-20-9-7-16/h10-11H,6-9H2,1-5H3
InChIKeyUAFUSUKRDHAWOL-UHFFFAOYSA-N
XLogP1.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane
CID 42283730
1-(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylazepane
CID 42283445
3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283933
3-tert-butyl-N-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283810
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 42346797
1-ethyl-4-(1,4-oxazepan-4-ylsulfonyl)pyrazol-3-amine
CID 62986717
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-(3-methylimidazol-4-yl)sulfonylmorpholine
CID 11299206

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine (CID 42283753) is 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine is CC(C)n1cc(S(=O)(=O)N2CCOCC2)c(C(C)(C)C)n1.
What is the InChIKey of 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is UAFUSUKRDHAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(2)17-10-12(13(15-17)14(3,4)5)21(18,19)16-6-8-20-9-7-16/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine?
4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 315.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 42283753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).