2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide

C8H13N3O3S — CID 65427987

IUPAC2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C8H13N3O3S/c1-6(5-12)11-15(13,14)7-3-2-4-10-8(7)9/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyDWTMOSOEPXPHTK-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.68
Rot. Bonds4

About 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide

2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 65427987) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID65427987
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C8H13N3O3S/c1-6(5-12)11-15(13,14)7-3-2-4-10-8(7)9/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyDWTMOSOEPXPHTK-UHFFFAOYSA-N
XLogP-0.68
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 123140905
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide (CID 65427987) is 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide is CC(CO)NS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is DWTMOSOEPXPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6(5-12)11-15(13,14)7-3-2-4-10-8(7)9/h2-4,6,11-12H,5H2,1H3,(H2,9,10).
What are the key properties of 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide?
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65427987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).