N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide

C10H19N3O3S — CID 71979593

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C10H19N3O3S/c1-9(2)16-6-7-17(14,15)12-8-10-4-5-11-13(10)3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyDXHCSTHEOWSOPX-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.26
Rot. Bonds7

About N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 71979593) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID71979593
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C10H19N3O3S/c1-9(2)16-6-7-17(14,15)12-8-10-4-5-11-13(10)3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyDXHCSTHEOWSOPX-UHFFFAOYSA-N
XLogP0.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 71979593) is N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCc1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is DXHCSTHEOWSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-9(2)16-6-7-17(14,15)12-8-10-4-5-11-13(10)3/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 71979593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).