N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide

C22H31N3O5S — CID 38935844

IUPACN-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1
InChIInChI=1S/C22H31N3O5S/c1-15-13-25(14-16(2)30-15)22(27)18-9-11-24(12-10-18)21(26)17-3-7-20(8-4-17)31(28,29)23-19-5-6-19/h3-4,7-8,15-16,18-19,23H,5-6,9-14H2,1-2H3/t15-,16+
InChIKeyHXWRUWNZHLKBOQ-IYBDPMFKSA-N
MW449.57 g/mol
LogP1.62
Rot. Bonds5

About N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 38935844) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID38935844
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC NameN-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1
InChIInChI=1S/C22H31N3O5S/c1-15-13-25(14-16(2)30-15)22(27)18-9-11-24(12-10-18)21(26)17-3-7-20(8-4-17)31(28,29)23-19-5-6-19/h3-4,7-8,15-16,18-19,23H,5-6,9-14H2,1-2H3/t15-,16+
InChIKeyHXWRUWNZHLKBOQ-IYBDPMFKSA-N
XLogP1.62
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 51942637
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 55849652
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
CID 51942605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide (CID 38935844) is N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide is C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1.
What is the InChIKey of N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is HXWRUWNZHLKBOQ-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-15-13-25(14-16(2)30-15)22(27)18-9-11-24(12-10-18)21(26)17-3-7-20(8-4-17)31(28,29)23-19-5-6-19/h3-4,7-8,15-16,18-19,23H,5-6,9-14H2,1-2H3/t15-,16+.
What are the key properties of N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 449.57 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 38935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).