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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63244989
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
CID 63687287
3-(aminomethyl)-3-[methyl(methylsulfamoyl)amino]pentane
CID 114803911
3-(aminomethyl)-3-[methyl(propan-2-ylsulfamoyl)amino]pentane
CID 114803908
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
CID 62008453
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
N-[3-(aminomethyl)pentan-3-yl]-N,4-dimethylbenzenesulfonamide
CID 62008652
2-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79850861
3-ethyl-1-methylsulfonylpentan-3-amine
CID 62621091
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylsulfonylethanesulfonamide
CID 55173886

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).