(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one

C14H21N3O3S — CID 78984747

IUPAC(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-16(8-10-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3/t13-/m1/s1
InChIKeyHVKOUWMAMPVQEE-CYBMUJFWSA-N
MW311.41 g/mol
LogP-0.34
Rot. Bonds4

About (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one

(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 78984747) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID78984747
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-16(8-10-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3/t13-/m1/s1
InChIKeyHVKOUWMAMPVQEE-CYBMUJFWSA-N
XLogP-0.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-3-phenyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one
CID 119343280
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 69184928
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one (CID 78984747) is (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one is CS(=O)(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is HVKOUWMAMPVQEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-16(8-10-17)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one?
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 311.41 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 78984747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).