N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide

C13H20N3O3S+ — CID 7029961

IUPACN-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
SMILESC[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-3-5-12(6-4-11)14-20(2,18)19/h3-6,14H,7-10H2,1-2H3/p+1
InChIKeyFPULDDIOQDOFQI-UHFFFAOYSA-O
MW298.39 g/mol
LogP-0.97
Rot. Bonds3

About N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide

N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 7029961) has the molecular formula C13H20N3O3S+ and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
PubChem CID7029961
Molecular FormulaC13H20N3O3S+
Molecular Weight298.39 g/mol
Exact Mass298.12
IUPAC NameN-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
SMILESC[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-3-5-12(6-4-11)14-20(2,18)19/h3-6,14H,7-10H2,1-2H3/p+1
InChIKeyFPULDDIOQDOFQI-UHFFFAOYSA-O
XLogP-0.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6931777
4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide
CID 7040269
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479
[3-[4-[4-(methanesulfonamido)benzoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108533205
N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 35795642
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide (CID 7029961) is N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide is C[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is FPULDDIOQDOFQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-3-5-12(6-4-11)14-20(2,18)19/h3-6,14H,7-10H2,1-2H3/p+1.
What are the key properties of N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide?
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 298.39 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 7029961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).