5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine

C15H17ClN4O3S — CID 129328651

IUPAC5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1
InChIInChI=1S/C15H17ClN4O3S/c1-10-13(3-2-5-18-10)23-12-4-6-20(9-12)24(21,22)14-7-11(16)8-19-15(14)17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyBYIQGUGYMBZLRP-LBPRGKRZSA-N
MW368.85 g/mol
LogP1.86
Rot. Bonds4

About 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine

5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 129328651) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID129328651
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1
InChIInChI=1S/C15H17ClN4O3S/c1-10-13(3-2-5-18-10)23-12-4-6-20(9-12)24(21,22)14-7-11(16)8-19-15(14)17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyBYIQGUGYMBZLRP-LBPRGKRZSA-N
XLogP1.86
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128998573
4-methyl-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 129337794
2-methyl-3-[1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128998572
2-methyl-3-[(3R)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129337329
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 99578182
1,3-dimethyl-5-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyrazolo[5,4-b]pyridine
CID 128999371
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2,3-dichloro-5-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridine
CID 124741053
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 129328651) is 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine is Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1.
What is the InChIKey of 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is BYIQGUGYMBZLRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-10-13(3-2-5-18-10)23-12-4-6-20(9-12)24(21,22)14-7-11(16)8-19-15(14)17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,17,19)/t12-/m0/s1.
What are the key properties of 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine?
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 368.85 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 129328651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).