N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide

C10H22N2O4S2 — CID 82838664

IUPACN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-12(18(15,16)9-17(2,13)14)10(8-11)6-4-3-5-7-10/h3-9,11H2,1-2H3
InChIKeyQGVRGKHWSPGYAP-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.09
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide (PubChem CID 82838664) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide
PubChem CID82838664
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-12(18(15,16)9-17(2,13)14)10(8-11)6-4-3-5-7-10/h3-9,11H2,1-2H3
InChIKeyQGVRGKHWSPGYAP-UHFFFAOYSA-N
XLogP-0.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-N-methylbutane-1-sulfonamide
CID 62008822
1-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclopentan-1-amine
CID 62009826
1-(aminomethyl)-1-[methyl(methylsulfamoyl)amino]cyclopentane
CID 114803856
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
CID 62008026
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
CID 62007612
N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
CID 63467204
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82838643
N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
CID 62007631

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide (CID 82838664) is N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide is CN(C1(CN)CCCCC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide?
The InChIKey is QGVRGKHWSPGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-12(18(15,16)9-17(2,13)14)10(8-11)6-4-3-5-7-10/h3-9,11H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82838664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).