N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide

C10H24N2O4S2 — CID 63245031

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-5-10(6-2,9-11)12(3)18(15,16)8-7-17(4,13)14/h5-9,11H2,1-4H3
InChIKeyOCSCUMXVXPVIKV-UHFFFAOYSA-N
MW300.45 g/mol
LogP-0.19
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide (PubChem CID 63245031) has the molecular formula C10H24N2O4S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
PubChem CID63245031
Molecular FormulaC10H24N2O4S2
Molecular Weight300.45 g/mol
Exact Mass300.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O4S2/c1-5-10(6-2,9-11)12(3)18(15,16)8-7-17(4,13)14/h5-9,11H2,1-4H3
InChIKeyOCSCUMXVXPVIKV-UHFFFAOYSA-N
XLogP-0.19
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide (CID 63245031) is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide?
The InChIKey is OCSCUMXVXPVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4S2/c1-5-10(6-2,9-11)12(3)18(15,16)8-7-17(4,13)14/h5-9,11H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide has a molecular weight of 300.45 g/mol, XLogP of -0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63245031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).