N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide

C9H15N3O3S — CID 71810286

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C9H15N3O3S/c1-16(13,14)11-8-6-10-12(7-8)9-2-4-15-5-3-9/h6-7,9,11H,2-5H2,1H3
InChIKeyNTGYZPZVYBIEGT-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.61
Rot. Bonds3

About N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide

N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide (PubChem CID 71810286) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
PubChem CID71810286
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C9H15N3O3S/c1-16(13,14)11-8-6-10-12(7-8)9-2-4-15-5-3-9/h6-7,9,11H,2-5H2,1H3
InChIKeyNTGYZPZVYBIEGT-UHFFFAOYSA-N
XLogP0.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide (CID 71810286) is N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The InChIKey is NTGYZPZVYBIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-16(13,14)11-8-6-10-12(7-8)9-2-4-15-5-3-9/h6-7,9,11H,2-5H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 71810286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).