2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide

C11H17N3O3S2 — CID 146103569

IUPAC2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide
SMILESO=S(=O)(N=S1(=O)CCCC1)c1ccnn1C1CCC1
InChIInChI=1S/C11H17N3O3S2/c15-18(8-1-2-9-18)13-19(16,17)11-6-7-12-14(11)10-4-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyCKPBCOAAPNYQAM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide

2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide (PubChem CID 146103569) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide
PubChem CID146103569
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide
SMILESO=S(=O)(N=S1(=O)CCCC1)c1ccnn1C1CCC1
InChIInChI=1S/C11H17N3O3S2/c15-18(8-1-2-9-18)13-19(16,17)11-6-7-12-14(11)10-4-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyCKPBCOAAPNYQAM-UHFFFAOYSA-N
XLogP1.56
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
CID 84737715
6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 146109220
2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
CID 146144012
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
CID 146106156
2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide
CID 138052554
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 146133509
2-(1,1-dioxothiolan-3-yl)pyrazole-3-carbaldehyde
CID 84734827
2-cyclobutyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrazole-3-sulfonamide
CID 136569915
1-cyclobutyl-5-(trifluoromethyl)pyrazole
CID 161495337
5-chloro-1-cycloheptylpyrazole
CID 83241860
N-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]methanesulfonamide
CID 154841188

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide?
The IUPAC name of 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide (CID 146103569) is 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide?
The canonical SMILES for 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide is O=S(=O)(N=S1(=O)CCCC1)c1ccnn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide?
The InChIKey is CKPBCOAAPNYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c15-18(8-1-2-9-18)13-19(16,17)11-6-7-12-14(11)10-4-3-5-10/h6-7,10H,1-5,8-9H2.
What are the key properties of 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide?
2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide is sourced from PubChem (CID 146103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).