3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

C20H21N3O3S2 — CID 9232722

IUPAC3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H21N3O3S2/c1-21-28(25,26)16-8-4-6-14(12-16)20(24)23-11-5-7-15(13-23)19-22-17-9-2-3-10-18(17)27-19/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3/t15-/m1/s1
InChIKeyFVTGZNRYUPCODN-OAHLLOKOSA-N
MW415.54 g/mol
LogP3.22
Rot. Bonds4

About 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 9232722) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID9232722
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H21N3O3S2/c1-21-28(25,26)16-8-4-6-14(12-16)20(24)23-11-5-7-15(13-23)19-22-17-9-2-3-10-18(17)27-19/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3/t15-/m1/s1
InChIKeyFVTGZNRYUPCODN-OAHLLOKOSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 9232715
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 26755514
[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 9223949
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 16857612
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9218663
N-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 41184498
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 16857587
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 8796625
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 8796628
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 72874396
methyl 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate
CID 29133366
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43010643

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 9232722) is 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1.
What is the InChIKey of 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is FVTGZNRYUPCODN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-21-28(25,26)16-8-4-6-14(12-16)20(24)23-11-5-7-15(13-23)19-22-17-9-2-3-10-18(17)27-19/h2-4,6,8-10,12,15,21H,5,7,11,13H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 415.54 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9232722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).