N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride

C8H19ClN2O2S — CID 119958900

IUPACN-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-8(9)5-3-2-4-6-8;/h10H,2-7,9H2,1H3;1H
InChIKeyARUZUTWJUSGECE-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.62
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride (PubChem CID 119958900) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
PubChem CID119958900
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1(N)CCCCC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-8(9)5-3-2-4-6-8;/h10H,2-7,9H2,1H3;1H
InChIKeyARUZUTWJUSGECE-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114810378
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
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1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane;hydrochloride
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N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
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N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
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N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
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N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
CID 120874307
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
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1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride (CID 119958900) is N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1(N)CCCCC1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
The InChIKey is ARUZUTWJUSGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-13(11,12)10-7-8(9)5-3-2-4-6-8;/h10H,2-7,9H2,1H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119958900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).