N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

C14H22N4O4S — CID 91909828

IUPACN-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCn1nccc1C(=O)N1CC(N(C2CCOCC2)S(C)(=O)=O)C1
InChIInChI=1S/C14H22N4O4S/c1-16-13(3-6-15-16)14(19)17-9-12(10-17)18(23(2,20)21)11-4-7-22-8-5-11/h3,6,11-12H,4-5,7-10H2,1-2H3
InChIKeyBKGYFQKCWFOOQL-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.31
Rot. Bonds4

About N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide

N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (PubChem CID 91909828) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
PubChem CID91909828
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCn1nccc1C(=O)N1CC(N(C2CCOCC2)S(C)(=O)=O)C1
InChIInChI=1S/C14H22N4O4S/c1-16-13(3-6-15-16)14(19)17-9-12(10-17)18(23(2,20)21)11-4-7-22-8-5-11/h3,6,11-12H,4-5,7-10H2,1-2H3
InChIKeyBKGYFQKCWFOOQL-UHFFFAOYSA-N
XLogP-0.31
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 91916169
CID 91916169
CID 45497110
CID 45497110
CID 91909829
CID 91909829
CID 91909831
CID 91909831
CID 91920603
CID 91920603
CID 91923547
CID 91923547
CID 110197182
CID 110197182
CID 110875726
CID 110875726
CID 177680234
CID 177680234
CID 70775948
CID 70775948
CID 128646669
CID 128646669
CID 132319145
CID 132319145

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide (CID 91909828) is N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is Cn1nccc1C(=O)N1CC(N(C2CCOCC2)S(C)(=O)=O)C1.
What is the InChIKey of N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is BKGYFQKCWFOOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-16-13(3-6-15-16)14(19)17-9-12(10-17)18(23(2,20)21)11-4-7-22-8-5-11/h3,6,11-12H,4-5,7-10H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide?
N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazole-3-carbonyl)azetidin-3-yl]-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 91909828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).