6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide

C9H14N2O3S — CID 146515046

IUPAC6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide
SMILESCc1nc(C(C)(C)O)ccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-7(15(10,13)14)4-5-8(11-6)9(2,3)12/h4-5,12H,1-3H3,(H2,10,13,14)
InChIKeyYFWKUBFCCCTOGK-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.26
Rot. Bonds2

About 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide

6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide (PubChem CID 146515046) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide
PubChem CID146515046
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide
SMILESCc1nc(C(C)(C)O)ccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-7(15(10,13)14)4-5-8(11-6)9(2,3)12/h4-5,12H,1-3H3,(H2,10,13,14)
InChIKeyYFWKUBFCCCTOGK-UHFFFAOYSA-N
XLogP0.26
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide (CID 146515046) is 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide is Cc1nc(C(C)(C)O)ccc1S(N)(=O)=O.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide?
The InChIKey is YFWKUBFCCCTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-7(15(10,13)14)4-5-8(11-6)9(2,3)12/h4-5,12H,1-3H3,(H2,10,13,14).
What are the key properties of 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide?
6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 146515046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).