N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide

C12H26N2O3S — CID 62049929

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3
InChIKeyXUTQVBHIMPUNAQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.94
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide (PubChem CID 62049929) 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-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide
PubChem CID62049929
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3
InChIKeyXUTQVBHIMPUNAQ-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-methyloxane-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide (CID 62049929) is N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide?
The InChIKey is XUTQVBHIMPUNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.94, 6 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-methyloxane-4-sulfonamide is sourced from PubChem (CID 62049929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).