N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide

C17H23N3O3S2 — CID 70783277

IUPACN-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C17H23N3O3S2/c1-12(21)18-9-8-14-5-3-4-10-20(14)25(22,23)15-6-7-16-17(11-15)24-13(2)19-16/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyLXUMNMLCZFNBKF-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 70783277) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
PubChem CID70783277
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C17H23N3O3S2/c1-12(21)18-9-8-14-5-3-4-10-20(14)25(22,23)15-6-7-16-17(11-15)24-13(2)19-16/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyLXUMNMLCZFNBKF-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]propan-1-amine
CID 166291121
(2R,3R)-2-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-3-carboxylic acid
CID 122104757
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
N-methyl-N'-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280451
2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 42065241
[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
CID 99966649
N-[2-(dimethylamino)ethyl]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43958506
N'-(3-methylbutyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574370
N-[2-[(2S)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylpropyl)oxamide
CID 11893493
N-[2-(diethylamino)ethyl]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43959258

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide (CID 70783277) is N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1S(=O)(=O)c1ccc2nc(C)sc2c1.
What is the InChIKey of N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is LXUMNMLCZFNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-12(21)18-9-8-14-5-3-4-10-20(14)25(22,23)15-6-7-16-17(11-15)24-13(2)19-16/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70783277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).