4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine

C12H15N3O3S2 — CID 20947492

IUPAC4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)n[nH]1
InChIInChI=1S/C12H15N3O3S2/c1-9-8-10(14-13-9)11-2-3-12(19-11)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeySWKZZAGPQSYOTP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.47
Rot. Bonds3

About 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine

4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine (PubChem CID 20947492) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine
PubChem CID20947492
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)n[nH]1
InChIInChI=1S/C12H15N3O3S2/c1-9-8-10(14-13-9)11-2-3-12(19-11)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H,13,14)
InChIKeySWKZZAGPQSYOTP-UHFFFAOYSA-N
XLogP1.47
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
CID 20947463
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
5-morpholin-4-ylsulfonylthiophene-2-sulfonyl fluoride
CID 165460543
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
4-[5-(2-cyclopropyl-1,3-oxazol-5-yl)thiophen-2-yl]sulfonylmorpholine
CID 53102949
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
N-(3-chloro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101559
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
CID 133373307

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine (CID 20947492) is 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine is Cc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)n[nH]1.
What is the InChIKey of 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The InChIKey is SWKZZAGPQSYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9-8-10(14-13-9)11-2-3-12(19-11)20(16,17)15-4-6-18-7-5-15/h2-3,8H,4-7H2,1H3,(H,13,14).
What are the key properties of 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine has a molecular weight of 313.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 20947492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).