N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide

C12H26N4O2S — CID 105415384

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)N2CCNCC2)CCC1
InChIInChI=1S/C12H26N4O2S/c1-14(2)12(5-4-6-12)11-15(3)19(17,18)16-9-7-13-8-10-16/h13H,4-11H2,1-3H3
InChIKeyYPWCGMQSLMOKPD-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.45
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 105415384) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
PubChem CID105415384
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)N2CCNCC2)CCC1
InChIInChI=1S/C12H26N4O2S/c1-14(2)12(5-4-6-12)11-15(3)19(17,18)16-9-7-13-8-10-16/h13H,4-11H2,1-3H3
InChIKeyYPWCGMQSLMOKPD-UHFFFAOYSA-N
XLogP-0.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
CID 83121463
N-[[1-(dimethylamino)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 61252713
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842
N,N-dimethyl-2-[methyl(piperazin-1-ylsulfonyl)amino]acetamide
CID 43375100
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
N-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119961510
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpyrrolidine-1-sulfonamide
CID 131892402
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421291
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 105419208

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide (CID 105415384) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide is CN(C)C1(CN(C)S(=O)(=O)N2CCNCC2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is YPWCGMQSLMOKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-14(2)12(5-4-6-12)11-15(3)19(17,18)16-9-7-13-8-10-16/h13H,4-11H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 105415384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).