2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide

C18H29N4O3S+ — CID 2336259

IUPAC2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NN1CC[NH+](C)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-6-7-16(26(24,25)22-8-4-3-5-9-22)14-17(15)18(23)19-21-12-10-20(2)11-13-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23)/p+1
InChIKeyATQPUZAANVDDJK-UHFFFAOYSA-O
MW381.52 g/mol
LogP-0.36
Rot. Bonds4

About 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2336259) has the molecular formula C18H29N4O3S+ and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2336259
Molecular FormulaC18H29N4O3S+
Molecular Weight381.52 g/mol
Exact Mass381.20
IUPAC Name2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NN1CC[NH+](C)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-6-7-16(26(24,25)22-8-4-3-5-9-22)14-17(15)18(23)19-21-12-10-20(2)11-13-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23)/p+1
InChIKeyATQPUZAANVDDJK-UHFFFAOYSA-O
XLogP-0.36
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 2336259) is 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NN1CC[NH+](C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ATQPUZAANVDDJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N4O3S/c1-15-6-7-16(26(24,25)22-8-4-3-5-9-22)14-17(15)18(23)19-21-12-10-20(2)11-13-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23)/p+1.
What are the key properties of 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 381.52 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2336259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).