N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide

C9H22N2O4S2 — CID 106116372

IUPACN-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-3-4-9(5-6-10)7-11-17(14,15)8-16(2,12)13/h9,11H,3-8,10H2,1-2H3
InChIKeyMGKQJFKKLKXBOJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.33
Rot. Bonds9

About N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide

N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 106116372) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide
PubChem CID106116372
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-3-4-9(5-6-10)7-11-17(14,15)8-16(2,12)13/h9,11H,3-8,10H2,1-2H3
InChIKeyMGKQJFKKLKXBOJ-UHFFFAOYSA-N
XLogP-0.33
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide (CID 106116372) is N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide is CCCC(CCN)CNS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is MGKQJFKKLKXBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-3-4-9(5-6-10)7-11-17(14,15)8-16(2,12)13/h9,11H,3-8,10H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 106116372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).