(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide

C14H21N3O3S — CID 100853100

IUPAC(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C14H21N3O3S/c1-11-6-5-9-17(10-11)21(19,20)16-13(14(15)18)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H2,15,18)/t11-,13-/m1/s1
InChIKeyOIXLPRNPUNOANN-DGCLKSJQSA-N
MW311.41 g/mol
LogP0.78
Rot. Bonds5

About (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide

(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide (PubChem CID 100853100) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
PubChem CID100853100
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)C1
InChIInChI=1S/C14H21N3O3S/c1-11-6-5-9-17(10-11)21(19,20)16-13(14(15)18)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H2,15,18)/t11-,13-/m1/s1
InChIKeyOIXLPRNPUNOANN-DGCLKSJQSA-N
XLogP0.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
2-Amino-2-phenylacetamide
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CID 16003816
2-Amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 3620866
Cyclo(Lphe-L-Val)
CID 13783105
Piperidine, 1-(N-phenylalanyl)-
CID 715789
3-Phenylpiperazin-2-one
CID 250681
2-amino-N-methyl-2-phenylacetamide
CID 14584872
(S)-(+)-2-Phenylglycine amide
CID 729986
2-Phenyl-2-piperidinoacetamide
CID 51917
1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3243193
1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 4216040

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide (CID 100853100) is (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide is C[C@@H]1CCCN(S(=O)(=O)N[C@@H](C(N)=O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide?
The InChIKey is OIXLPRNPUNOANN-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-6-5-9-17(10-11)21(19,20)16-13(14(15)18)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3,(H2,15,18)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide?
(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 100853100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).