3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C17H21N3O5S — CID 99951403

IUPAC3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCO[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)C1
InChIInChI=1S/C17H21N3O5S/c1-24-15-5-3-8-20(12-15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m1/s1
InChIKeyMTLCMUABSXPSRF-OAHLLOKOSA-N
MW379.44 g/mol
LogP1.40
Rot. Bonds6

About 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 99951403) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID99951403
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCO[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)C1
InChIInChI=1S/C17H21N3O5S/c1-24-15-5-3-8-20(12-15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m1/s1
InChIKeyMTLCMUABSXPSRF-OAHLLOKOSA-N
XLogP1.40
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 74242575
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 97192562
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60525989
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 99951403) is 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is CO[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)C1.
What is the InChIKey of 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is MTLCMUABSXPSRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-15-5-3-8-20(12-15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 99951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).