N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide

C14H28N2O2S — CID 64929835

IUPACN-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESNC1CCCCC1CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28N2O2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h12-14,16H,1-11,15H2
InChIKeyQEMWELVWDCDMCT-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.00
Rot. Bonds5

About N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide

N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide (PubChem CID 64929835) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
PubChem CID64929835
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESNC1CCCCC1CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H28N2O2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h12-14,16H,1-11,15H2
InChIKeyQEMWELVWDCDMCT-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-1-cyclohexylmethanesulfonamide
CID 114295370
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65032688
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
N-[(2-aminocyclopentyl)methyl]cyclopentanesulfonamide
CID 115752313
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180
1-cyclohexyl-N-[(6-methylpiperidin-2-yl)methyl]methanesulfonamide
CID 62321267
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide (CID 64929835) is N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide is NC1CCCCC1CNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is QEMWELVWDCDMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c15-14-9-5-4-8-13(14)10-16-19(17,18)11-12-6-2-1-3-7-12/h12-14,16H,1-11,15H2.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 64929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).