N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

C15H21N4OS+ — CID 7248170

IUPACN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1c(NC(=O)C[NH+]2CCC[C@@H](C)C2)ccc2nsnc12
InChIInChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1
InChIKeyQROWVZGJWNTOKO-SNVBAGLBSA-O
MW305.43 g/mol
LogP1.25
Rot. Bonds3

About N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 7248170) has the molecular formula C15H21N4OS+ and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID7248170
Molecular FormulaC15H21N4OS+
Molecular Weight305.43 g/mol
Exact Mass305.14
IUPAC NameN-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1c(NC(=O)C[NH+]2CCC[C@@H](C)C2)ccc2nsnc12
InChIInChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1
InChIKeyQROWVZGJWNTOKO-SNVBAGLBSA-O
XLogP1.25
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833
N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(2-methyl-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409447
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7436741
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7392316
N-(2-methyl-6-nitrophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903623
(3R)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305291

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 7248170) is N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is Cc1c(NC(=O)C[NH+]2CCC[C@@H](C)C2)ccc2nsnc12.
What is the InChIKey of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is QROWVZGJWNTOKO-SNVBAGLBSA-O. The full InChI is InChI=1S/C15H20N4OS/c1-10-4-3-7-19(8-10)9-14(20)16-12-5-6-13-15(11(12)2)18-21-17-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1.
What are the key properties of N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,1,3-benzothiadiazol-5-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7248170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).