(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H14Cl2N2O2S — CID 119993468

IUPAC(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-8-2-1-3-10(6-8)16(14,15)13-5-4-9(12)7-13;/h1-3,6,9H,4-5,7,12H2;1H/t9-;/m0./s1
InChIKeyAGLQANZIADREOM-FVGYRXGTSA-N
MW297.21 g/mol
LogP1.48
Rot. Bonds2

About (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993468) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993468
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-8-2-1-3-10(6-8)16(14,15)13-5-4-9(12)7-13;/h1-3,6,9H,4-5,7,12H2;1H/t9-;/m0./s1
InChIKeyAGLQANZIADREOM-FVGYRXGTSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
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1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119993468) is (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is AGLQANZIADREOM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13ClN2O2S.ClH/c11-8-2-1-3-10(6-8)16(14,15)13-5-4-9(12)7-13;/h1-3,6,9H,4-5,7,12H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 297.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).