N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide

C11H24N2O4S2 — CID 82842962

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
SMILESCCN(C1CCCCC1CN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-13(19(16,17)9-18(2,14)15)11-7-5-4-6-10(11)8-12/h10-11H,3-9,12H2,1-2H3
InChIKeyDLWKTXOUCOFGGJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.16
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide (PubChem CID 82842962) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
PubChem CID82842962
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
SMILESCCN(C1CCCCC1CN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-13(19(16,17)9-18(2,14)15)11-7-5-4-6-10(11)8-12/h10-11H,3-9,12H2,1-2H3
InChIKeyDLWKTXOUCOFGGJ-UHFFFAOYSA-N
XLogP0.16
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide (CID 82842962) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide is CCN(C1CCCCC1CN)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide?
The InChIKey is DLWKTXOUCOFGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-13(19(16,17)9-18(2,14)15)11-7-5-4-6-10(11)8-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).