(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide

C16H21N3O3S — CID 94064692

IUPAC(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H21N3O3S/c1-13-6-5-9-19(12-13)23(20,21)17-11-15-10-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,10,13,17H,5-6,9,11-12H2,1H3/t13-/m1/s1
InChIKeyYIMONMSNWICMKF-CYBMUJFWSA-N
MW335.43 g/mol
LogP2.41
Rot. Bonds5

About (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide

(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide (PubChem CID 94064692) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
PubChem CID94064692
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCc2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C16H21N3O3S/c1-13-6-5-9-19(12-13)23(20,21)17-11-15-10-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,10,13,17H,5-6,9,11-12H2,1H3/t13-/m1/s1
InChIKeyYIMONMSNWICMKF-CYBMUJFWSA-N
XLogP2.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
CID 119130050
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929505
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
3-(methoxymethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 131901449
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 35609636

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide (CID 94064692) is (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NCc2cc(-c3ccccc3)no2)C1.
What is the InChIKey of (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is YIMONMSNWICMKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-6-5-9-19(12-13)23(20,21)17-11-15-10-16(18-22-15)14-7-3-2-4-8-14/h2-4,7-8,10,13,17H,5-6,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 94064692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).