N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine

C13H33ClN5O4S2+ — CID 158798691

IUPACN,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine
SMILESC1CCNCC1.CN(C)S(=O)(=O)N1CCNCC1.CN(C)S(=O)(=O)[ClH+]
InChIInChI=1S/C6H15N3O2S.C5H11N.C2H7ClNO2S/c1-8(2)12(10,11)9-5-3-7-4-6-9;1-2-4-6-5-3-1;1-4(2)7(3,5)6/h7H,3-6H2,1-2H3;6H,1-5H2;3H,1-2H3/q;;+1
InChIKeyITETUSLRMUEPDG-UHFFFAOYSA-N
MW423.03 g/mol
LogP-1.47
Rot. Bonds3

About N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine

N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine (PubChem CID 158798691) has the molecular formula C13H33ClN5O4S2+ and a molecular weight of 423.03 g/mol. Its IUPAC name is N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine.

Molecular Properties

Compound NameN,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine
PubChem CID158798691
Molecular FormulaC13H33ClN5O4S2+
Molecular Weight423.03 g/mol
Exact Mass422.17
IUPAC NameN,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine
SMILESC1CCNCC1.CN(C)S(=O)(=O)N1CCNCC1.CN(C)S(=O)(=O)[ClH+]
InChIInChI=1S/C6H15N3O2S.C5H11N.C2H7ClNO2S/c1-8(2)12(10,11)9-5-3-7-4-6-9;1-2-4-6-5-3-1;1-4(2)7(3,5)6/h7H,3-6H2,1-2H3;6H,1-5H2;3H,1-2H3/q;;+1
InChIKeyITETUSLRMUEPDG-UHFFFAOYSA-N
XLogP-1.47
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.03
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
CID 25219516
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
N-methyl-N-pentan-3-ylpiperazine-1-sulfonamide
CID 43571296
N-ethyl-N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
CID 61251786
N,N-dimethyl-4-pyrrolidin-3-ylpiperidine-1-sulfonamide
CID 115269628
N-butan-2-yl-N-ethylpiperazine-1-sulfonamide
CID 43274716
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
CID 105415384
1-methylsulfonylpiperazine
CID 709161
N-methyl-N-(thiolan-3-yl)-1,4-diazepane-1-sulfonamide
CID 43296839

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine?
The IUPAC name of N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine (CID 158798691) is N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine.
What is the SMILES notation for N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine?
The canonical SMILES for N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine is C1CCNCC1.CN(C)S(=O)(=O)N1CCNCC1.CN(C)S(=O)(=O)[ClH+].
What is the InChIKey of N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine?
The InChIKey is ITETUSLRMUEPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S.C5H11N.C2H7ClNO2S/c1-8(2)12(10,11)9-5-3-7-4-6-9;1-2-4-6-5-3-1;1-4(2)7(3,5)6/h7H,3-6H2,1-2H3;6H,1-5H2;3H,1-2H3/q;;+1.
What are the key properties of N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine?
N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine has a molecular weight of 423.03 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpiperazine-1-sulfonamide;dimethylsulfamoylchloranium;piperidine is sourced from PubChem (CID 158798691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).