3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide

C15H21N3O3S2 — CID 128588021

IUPAC3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCOC(c3ccnn3C)C2)s1
InChIInChI=1S/C15H21N3O3S2/c1-10-8-11(2)22-15(10)23(19,20)17-12-5-7-21-14(9-12)13-4-6-16-18(13)3/h4,6,8,12,14,17H,5,7,9H2,1-3H3
InChIKeyDICHBMKPSVZDDY-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.30
Rot. Bonds4

About 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide

3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide (PubChem CID 128588021) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide
PubChem CID128588021
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CCOC(c3ccnn3C)C2)s1
InChIInChI=1S/C15H21N3O3S2/c1-10-8-11(2)22-15(10)23(19,20)17-12-5-7-21-14(9-12)13-4-6-16-18(13)3/h4,6,8,12,14,17H,5,7,9H2,1-3H3
InChIKeyDICHBMKPSVZDDY-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide (CID 128588021) is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CCOC(c3ccnn3C)C2)s1.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide?
The InChIKey is DICHBMKPSVZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-10-8-11(2)22-15(10)23(19,20)17-12-5-7-21-14(9-12)13-4-6-16-18(13)3/h4,6,8,12,14,17H,5,7,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide?
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 128588021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).