N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

C15H24N4O4S — CID 91909829

IUPACN-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCCn1ccc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H24N4O4S/c1-3-18-7-4-14(16-18)15(20)17-10-13(11-17)19(24(2,21)22)12-5-8-23-9-6-12/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyPYXODPDBYZXQRB-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.17
Rot. Bonds5

About N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (PubChem CID 91909829) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
PubChem CID91909829
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCCn1ccc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H24N4O4S/c1-3-18-7-4-14(16-18)15(20)17-10-13(11-17)19(24(2,21)22)12-5-8-23-9-6-12/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeyPYXODPDBYZXQRB-UHFFFAOYSA-N
XLogP0.17
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91916169
(1-ethyl-1H-pyrazol-5-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 45497110
N-[1-(1-Methyl-1H-pyrazole-5-carbonyl)azetidin-3-YL]-N-(oxan-4-YL)methanesulfonamide
CID 91909828
N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91909831
1-[1-(2-Methylpyrazole-3-carbonyl)azetidin-3-yl]-1-(oxan-4-yl)-3-propan-2-ylurea
CID 91920603
N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide
CID 91923547
N-Ethyl-1-(1-methyl-1H-pyrazole-5-carbonyl)-N-(oxan-4-YL)azetidin-3-amine
CID 110197182
1-(oxan-4-yl)-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 177679884
[(3S)-3-methylmorpholin-4-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122151807
[3-[Bis(2-methoxyethyl)amino]azetidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 132319145
N-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-piperidinyl)methanesulfonamide
CID 72890526
[2-(Oxan-4-yl)pyrazol-3-yl]-[2-(trifluoromethyl)azetidin-1-yl]methanone
CID 132369333

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (CID 91909829) is N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is CCn1ccc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is PYXODPDBYZXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-3-18-7-4-14(16-18)15(20)17-10-13(11-17)19(24(2,21)22)12-5-8-23-9-6-12/h4,7,12-13H,3,5-6,8-11H2,1-2H3.
What are the key properties of N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 91909829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).