N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride

C8H19ClN2O2S — CID 162624935

IUPACN-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCC(N)CC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-6-7-2-4-8(9)5-3-7;/h7-8,10H,2-6,9H2,1H3;1H
InChIKeyLEFFTTXPELMBPG-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.47
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride

N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride (PubChem CID 162624935) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
PubChem CID162624935
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCC(N)CC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-6-7-2-4-8(9)5-3-7;/h7-8,10H,2-6,9H2,1H3;1H
InChIKeyLEFFTTXPELMBPG-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126251
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310
N-[(3-chlorocyclopentyl)methyl]methanesulfonamide
CID 106135282
cyclopropanamine;methanesulfonic acid
CID 87564973
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide
CID 7175799
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride (CID 162624935) is N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCC(N)CC1.Cl.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The InChIKey is LEFFTTXPELMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-6-7-2-4-8(9)5-3-7;/h7-8,10H,2-6,9H2,1H3;1H.
What are the key properties of N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 162624935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).