N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride

C14H22ClN3O3S — CID 119329196

IUPACN-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)16-12-7-8-17(10-12)14(18)13(15)9-11-5-3-2-4-6-11;/h2-6,12-13,16H,7-10,15H2,1H3;1H/t12?,13-;/m0./s1
InChIKeyZGRXEYCHMNHXQY-ZEDZUCNESA-N
MW347.87 g/mol
LogP0.13
Rot. Bonds5

About N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride

N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 119329196) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID119329196
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-21(19,20)16-12-7-8-17(10-12)14(18)13(15)9-11-5-3-2-4-6-11;/h2-6,12-13,16H,7-10,15H2,1H3;1H/t12?,13-;/m0./s1
InChIKeyZGRXEYCHMNHXQY-ZEDZUCNESA-N
XLogP0.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
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2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
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N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
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2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
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N-[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 154801356
1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
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(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
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2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride (CID 119329196) is N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZGRXEYCHMNHXQY-ZEDZUCNESA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-21(19,20)16-12-7-8-17(10-12)14(18)13(15)9-11-5-3-2-4-6-11;/h2-6,12-13,16H,7-10,15H2,1H3;1H/t12?,13-;/m0./s1.
What are the key properties of N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119329196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).