1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C16H25ClN2O2S — CID 119971532

IUPAC1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C16H24N2O2S.ClH/c17-15-10-11-18(12-15)21(19,20)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10-12,17H2;1H
InChIKeyMCXIOYRXHVWIGV-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971532) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971532
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C16H24N2O2S.ClH/c17-15-10-11-18(12-15)21(19,20)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10-12,17H2;1H
InChIKeyMCXIOYRXHVWIGV-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119971532) is 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is MCXIOYRXHVWIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c17-15-10-11-18(12-15)21(19,20)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15H,1-5,10-12,17H2;1H.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).