(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide

C16H25N3O3S — CID 98730303

IUPAC(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-12-8-13(2)11-19(10-12)23(21,22)18-15(16(17)20)9-14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3,(H2,17,20)/t12-,13-,15-/m1/s1
InChIKeyOBJBPGGOVYQRDZ-UMVBOHGHSA-N
MW339.46 g/mol
LogP0.90
Rot. Bonds6

About (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide

(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide (PubChem CID 98730303) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide
PubChem CID98730303
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-12-8-13(2)11-19(10-12)23(21,22)18-15(16(17)20)9-14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3,(H2,17,20)/t12-,13-,15-/m1/s1
InChIKeyOBJBPGGOVYQRDZ-UMVBOHGHSA-N
XLogP0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoic acid
CID 70057612
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 4869509
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
CID 100853100
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanamide
CID 70057227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide (CID 98730303) is (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)C1.
What is the InChIKey of (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide?
The InChIKey is OBJBPGGOVYQRDZ-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-8-13(2)11-19(10-12)23(21,22)18-15(16(17)20)9-14-6-4-3-5-7-14/h3-7,12-13,15,18H,8-11H2,1-2H3,(H2,17,20)/t12-,13-,15-/m1/s1.
What are the key properties of (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide?
(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 98730303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).