2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide

C16H25N3O3S — CID 94809275

IUPAC2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-14-6-5-11-19(13-14)23(21,22)18-12-16(20)17-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCVPAQQUPIGQAAM-AWEZNQCLSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds7

About 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide

2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 94809275) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID94809275
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H25N3O3S/c1-14-6-5-11-19(13-14)23(21,22)18-12-16(20)17-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCVPAQQUPIGQAAM-AWEZNQCLSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 51099652
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
CID 51939583
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide (CID 94809275) is 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide is C[C@H]1CCCN(S(=O)(=O)NCC(=O)NCCc2ccccc2)C1.
What is the InChIKey of 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is CVPAQQUPIGQAAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-6-5-11-19(13-14)23(21,22)18-12-16(20)17-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,18H,5-6,9-13H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide?
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 94809275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).