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

C9H15N3O3S — CID 65427796

IUPAC2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H15N3O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3,(H2,10,11)
InChIKeyFWSBWQYVPIIEDB-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.29
Rot. Bonds5

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

2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide (PubChem CID 65427796) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
PubChem CID65427796
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C9H15N3O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3,(H2,10,11)
InChIKeyFWSBWQYVPIIEDB-UHFFFAOYSA-N
XLogP-0.29
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide (CID 65427796) is 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide is CCC(CO)NS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is FWSBWQYVPIIEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-7(6-13)12-16(14,15)8-4-3-5-11-9(8)10/h3-5,7,12-13H,2,6H2,1H3,(H2,10,11).
What are the key properties of 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide?
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65427796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).