2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine

C11H18N2O2S — CID 163546017

IUPAC2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine
SMILESCC[C@@H](C)C(C)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O2S/c1-4-8(2)9(3)16(14,15)11-10(12)6-5-7-13-11/h5-9H,4,12H2,1-3H3/t8-,9?/m1/s1
InChIKeyFFBWQVYUCBEJMC-VEDVMXKPSA-N
MW242.34 g/mol
LogP1.87
Rot. Bonds4

About 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine

2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine (PubChem CID 163546017) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine
PubChem CID163546017
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine
SMILESCC[C@@H](C)C(C)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H18N2O2S/c1-4-8(2)9(3)16(14,15)11-10(12)6-5-7-13-11/h5-9H,4,12H2,1-3H3/t8-,9?/m1/s1
InChIKeyFFBWQVYUCBEJMC-VEDVMXKPSA-N
XLogP1.87
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfonyl]-N,N-diethylpropanamide
CID 61368040
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(ethylcarbamoyl)propanamide
CID 61367269
3-amino-N-ethyl-N-(2-ethylbutyl)pyridine-2-sulfonamide
CID 103305216
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
CID 106728941
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283511
3-amino-N-(4-ethylphenyl)-N-methylpyridine-2-sulfonamide
CID 103305325
2-[(3-amino-2-pyridinyl)sulfonyl]-N-pentan-2-ylacetamide
CID 61489654
3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 103305551
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305073
2-[(3-amino-2-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103304775

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine?
The IUPAC name of 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine (CID 163546017) is 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine.
What is the SMILES notation for 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine?
The canonical SMILES for 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine is CC[C@@H](C)C(C)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine?
The InChIKey is FFBWQVYUCBEJMC-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-8(2)9(3)16(14,15)11-10(12)6-5-7-13-11/h5-9H,4,12H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine?
2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine has a molecular weight of 242.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpentan-2-yl]sulfonylpyridin-3-amine is sourced from PubChem (CID 163546017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).