2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide

C9H15N3O3S — CID 133434655

IUPAC2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
SMILESCC[C@@H](CO)Nc1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-2-7(6-13)12-9-8(16(10,14)15)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)(H2,10,14,15)/t7-/m0/s1
InChIKeyYDVYRJQIINLARW-ZETCQYMHSA-N
MW245.30 g/mol
LogP-0.09
Rot. Bonds5

About 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide

2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide (PubChem CID 133434655) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
PubChem CID133434655
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
SMILESCC[C@@H](CO)Nc1ncccc1S(N)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-2-7(6-13)12-9-8(16(10,14)15)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)(H2,10,14,15)/t7-/m0/s1
InChIKeyYDVYRJQIINLARW-ZETCQYMHSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
CID 133332314
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
CID 133434864

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide (CID 133434655) is 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide is CC[C@@H](CO)Nc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide?
The InChIKey is YDVYRJQIINLARW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-7(6-13)12-9-8(16(10,14)15)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)(H2,10,14,15)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide?
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133434655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).