N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C12H26N2O3S — CID 55175079

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyHRWZGSSAFMHBOF-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.94
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55175079) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55175079
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyHRWZGSSAFMHBOF-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide 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-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 55174690
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55174884
N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 55174885
N-[3-(aminomethyl)pentan-3-yl]-2-ethoxy-N-ethylethanesulfonamide
CID 55175847
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide
CID 62007659
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-propylethanesulfonamide
CID 62009457
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2-methoxyethanesulfonamide
CID 62010466
N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide
CID 62049927

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 55175079) is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is HRWZGSSAFMHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55175079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).