3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide

C12H21N3O3S — CID 103914964

IUPAC3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H21N3O3S/c1-8(11-4-6-18-7-5-11)15-19(16,17)12-9(2)13-14-10(12)3/h8,11,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyLCRAKDICUPPLET-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.12
Rot. Bonds4

About 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 103914964) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID103914964
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H21N3O3S/c1-8(11-4-6-18-7-5-11)15-19(16,17)12-9(2)13-14-10(12)3/h8,11,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyLCRAKDICUPPLET-UHFFFAOYSA-N
XLogP1.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 103914964) is 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC(C)C1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LCRAKDICUPPLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(11-4-6-18-7-5-11)15-19(16,17)12-9(2)13-14-10(12)3/h8,11,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103914964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).