N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide

C11H19N3O3S — CID 154840984

IUPACN-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCCO2)nn1C
InChIInChI=1S/C11H19N3O3S/c1-9-7-11(12-14(9)2)13-18(15,16)8-10-5-3-4-6-17-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyLZSLCSUZGQVLLC-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.04
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide

N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide (PubChem CID 154840984) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
PubChem CID154840984
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCCO2)nn1C
InChIInChI=1S/C11H19N3O3S/c1-9-7-11(12-14(9)2)13-18(15,16)8-10-5-3-4-6-17-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyLZSLCSUZGQVLLC-UHFFFAOYSA-N
XLogP1.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide
CID 75425369
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
CID 102563351
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-(2-amino-6-bromo-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 116813798
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide (CID 154840984) is N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)CC2CCCCO2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is LZSLCSUZGQVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-7-11(12-14(9)2)13-18(15,16)8-10-5-3-4-6-17-10/h7,10H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide?
N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 154840984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).