N-methyl-2-methylsulfonylcyclohexan-1-amine

C8H17NO2S — CID 14615345

IUPACN-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyQSOXLKJJIZJVNM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-2-methylsulfonylcyclohexan-1-amine

N-methyl-2-methylsulfonylcyclohexan-1-amine (PubChem CID 14615345) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonylcyclohexan-1-amine
PubChem CID14615345
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyQSOXLKJJIZJVNM-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclohexylazaniumyl)ethanesulfonate
CID 3852474
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
3-(Cyclohexylazaniumyl)propane-1-sulfonate
CID 12546061
2-(Cyclohexylamino)-1-propanesulfonic acid
CID 19790457
Sodium 3-(cyclohexylamino)propane-1-sulfonate
CID 23666801
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
Ethanesulfonic acid, 2-(cyclohexylamino)-, sodium salt (1:1)
CID 23666805
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
rac-(1R,2R)-2-methanesulfonylcyclohexan-1-amine hydrochloride
CID 119031992
potassium 2-(N-cyclohexylamino)ethane sulfonate
CID 129723896
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonylcyclohexan-1-amine (CID 14615345) is N-methyl-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonylcyclohexan-1-amine is CNC1CCCCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is QSOXLKJJIZJVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonylcyclohexan-1-amine?
N-methyl-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 14615345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).