(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide

C14H21N3O3S — CID 104897197

IUPAC(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-12(8-10-17)16-14(18)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyVDCUQKMHWAFGEJ-ZDUSSCGKSA-N
MW311.41 g/mol
LogP0.23
Rot. Bonds4

About (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide

(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide (PubChem CID 104897197) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
PubChem CID104897197
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-12(8-10-17)16-14(18)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyVDCUQKMHWAFGEJ-ZDUSSCGKSA-N
XLogP0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
1-(3,3-diphenylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 31989348
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide (CID 104897197) is (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide is CS(=O)(=O)N1CCC(NC(=O)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide?
The InChIKey is VDCUQKMHWAFGEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)17-9-7-12(8-10-17)16-14(18)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide?
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 104897197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).