2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C17H28N4O3S+2 — CID 6971322

IUPAC2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C17H26N4O3S/c1-19-10-12-20(13-11-19)14-17(22)18-15-4-6-16(7-5-15)25(23,24)21-8-2-3-9-21/h4-7H,2-3,8-14H2,1H3,(H,18,22)/p+2
InChIKeyGNORNJGNNUXOBL-UHFFFAOYSA-P
MW368.50 g/mol
LogP-2.18
Rot. Bonds5

About 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 6971322) has the molecular formula C17H28N4O3S+2 and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID6971322
Molecular FormulaC17H28N4O3S+2
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C17H26N4O3S/c1-19-10-12-20(13-11-19)14-17(22)18-15-4-6-16(7-5-15)25(23,24)21-8-2-3-9-21/h4-7H,2-3,8-14H2,1H3,(H,18,22)/p+2
InChIKeyGNORNJGNNUXOBL-UHFFFAOYSA-P
XLogP-2.18
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
2-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7471841
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-iodophenyl)acetamide
CID 2399038
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 7436765
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
CID 7205951

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 6971322) is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is C[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GNORNJGNNUXOBL-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H26N4O3S/c1-19-10-12-20(13-11-19)14-17(22)18-15-4-6-16(7-5-15)25(23,24)21-8-2-3-9-21/h4-7H,2-3,8-14H2,1H3,(H,18,22)/p+2.
What are the key properties of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 368.50 g/mol, XLogP of -2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 6971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).