N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide

C9H20N2O4S2 — CID 82839682

IUPACN-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-11(9-5-3-8(10)4-6-9)17(14,15)7-16(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyBBQIGEFKKPNGCP-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.48
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide

N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide (PubChem CID 82839682) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide
PubChem CID82839682
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S2/c1-11(9-5-3-8(10)4-6-9)17(14,15)7-16(2,12)13/h8-9H,3-7,10H2,1-2H3
InChIKeyBBQIGEFKKPNGCP-UHFFFAOYSA-N
XLogP-0.48
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide (CID 82839682) is N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide?
The InChIKey is BBQIGEFKKPNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-11(9-5-3-8(10)4-6-9)17(14,15)7-16(2,12)13/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide?
N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82839682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).