N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide

C13H27N3O2S — CID 61065630

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-16-9-7-13(11-14,8-10-16)15-19(17,18)12-5-3-2-4-6-12/h12,15H,2-11,14H2,1H3
InChIKeyZRIKLUNEISMTME-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.66
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide (PubChem CID 61065630) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
PubChem CID61065630
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-16-9-7-13(11-14,8-10-16)15-19(17,18)12-5-3-2-4-6-12/h12,15H,2-11,14H2,1H3
InChIKeyZRIKLUNEISMTME-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
4-(aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
CID 71756459
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
CID 63765461
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide
CID 62374091
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[[1-(aminomethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361881
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
CID 83011046
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide (CID 61065630) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide is CN1CCC(CN)(NS(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide?
The InChIKey is ZRIKLUNEISMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-16-9-7-13(11-14,8-10-16)15-19(17,18)12-5-3-2-4-6-12/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide is sourced from PubChem (CID 61065630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).