N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide

C13H27N3O2S — CID 59088747

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide
SMILESCN1CCN(C2(CNS(C)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-15-8-10-16(11-9-15)13(6-4-3-5-7-13)12-14-19(2,17)18/h14H,3-12H2,1-2H3
InChIKeyNAJZPRMONZSZDO-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.49
Rot. Bonds4

About N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide

N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide (PubChem CID 59088747) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide
PubChem CID59088747
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide
SMILESCN1CCN(C2(CNS(C)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-15-8-10-16(11-9-15)13(6-4-3-5-7-13)12-14-19(2,17)18/h14H,3-12H2,1-2H3
InChIKeyNAJZPRMONZSZDO-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylcyclohexyl)-4-(methylsulfonyl)piperazine
CID 644497
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]methanesulfonamide
CID 94197261
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
[4,4-Difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561921
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010614
1-(Difluoromethylsulfonyl)-1,4-diazaspiro[5.5]undecane
CID 65529929
6,6,6-Trifluoro-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)hexan-1-amine
CID 116535289
N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58438329
[1-(4-Ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 58561674
[1-(4-Propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
CID 58561678
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide (CID 59088747) is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide is CN1CCN(C2(CNS(C)(=O)=O)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide?
The InChIKey is NAJZPRMONZSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-15-8-10-16(11-9-15)13(6-4-3-5-7-13)12-14-19(2,17)18/h14H,3-12H2,1-2H3.
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide?
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 59088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).