N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

C15H24N4O4S — CID 91909831

IUPACN-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCc1cc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C15H24N4O4S/c1-11-8-14(16-17(11)2)15(20)18-9-13(10-18)19(24(3,21)22)12-4-6-23-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3
InChIKeyXWRHGXDVSUVHLF-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.01
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (PubChem CID 91909831) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
PubChem CID91909831
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCc1cc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)nn1C
InChIInChI=1S/C15H24N4O4S/c1-11-8-14(16-17(11)2)15(20)18-9-13(10-18)19(24(3,21)22)12-4-6-23-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3
InChIKeyXWRHGXDVSUVHLF-UHFFFAOYSA-N
XLogP-0.01
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (CID 91909831) is N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is Cc1cc(C(=O)N2CC(N(C3CCOCC3)S(C)(=O)=O)C2)nn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is XWRHGXDVSUVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-11-8-14(16-17(11)2)15(20)18-9-13(10-18)19(24(3,21)22)12-4-6-23-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 91909831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).