1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

C9H14ClN3O2S — CID 91660222

IUPAC1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C9H13N3O2S.ClH/c10-8-4-6-12(7-8)15(13,14)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H
InChIKeyPWRMERTYFKBOAG-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.23
Rot. Bonds2

About 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 91660222) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID91660222
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C9H13N3O2S.ClH/c10-8-4-6-12(7-8)15(13,14)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H
InChIKeyPWRMERTYFKBOAG-UHFFFAOYSA-N
XLogP0.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
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(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine
CID 115275215
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
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CID 119962398
1-(2-iodophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 165111775
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride
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(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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CID 119971606

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (CID 91660222) is 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccccn2)C1.
What is the InChIKey of 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is PWRMERTYFKBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.ClH/c10-8-4-6-12(7-8)15(13,14)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H.
What are the key properties of 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 91660222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).