(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide

C9H14N2O3S — CID 134552287

IUPAC(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C9H14N2O3S/c1-6-3-4-8(11-5-6)9(12)7(2)15(10,13)14/h3-5,7,9,12H,1-2H3,(H2,10,13,14)/t7-,9+/m0/s1
InChIKeyCKLFBABMCDYZKI-IONNQARKSA-N
MW230.29 g/mol
LogP0.10
Rot. Bonds3

About (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide

(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide (PubChem CID 134552287) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
PubChem CID134552287
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C9H14N2O3S/c1-6-3-4-8(11-5-6)9(12)7(2)15(10,13)14/h3-5,7,9,12H,1-2H3,(H2,10,13,14)/t7-,9+/m0/s1
InChIKeyCKLFBABMCDYZKI-IONNQARKSA-N
XLogP0.10
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide (CID 134552287) is (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide is Cc1ccc([C@H](O)[C@H](C)S(N)(=O)=O)nc1.
What is the InChIKey of (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide?
The InChIKey is CKLFBABMCDYZKI-IONNQARKSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-3-4-8(11-5-6)9(12)7(2)15(10,13)14/h3-5,7,9,12H,1-2H3,(H2,10,13,14)/t7-,9+/m0/s1.
What are the key properties of (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide?
(1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-hydroxy-1-(5-methyl-2-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 134552287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).