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

C14H30N2O3S — CID 62050110

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H30N2O3S/c1-4-9-16(14(5-2,6-3)12-15)20(17,18)13-7-10-19-11-8-13/h13H,4-12,15H2,1-3H3
InChIKeyYTIFELZMXNGITR-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.72
Rot. Bonds8

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

N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide (PubChem CID 62050110) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
PubChem CID62050110
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H30N2O3S/c1-4-9-16(14(5-2,6-3)12-15)20(17,18)13-7-10-19-11-8-13/h13H,4-12,15H2,1-3H3
InChIKeyYTIFELZMXNGITR-UHFFFAOYSA-N
XLogP1.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide (CID 62050110) is N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide is CCCN(C(CC)(CC)CN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide?
The InChIKey is YTIFELZMXNGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-4-9-16(14(5-2,6-3)12-15)20(17,18)13-7-10-19-11-8-13/h13H,4-12,15H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.72, 8 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-propyloxane-4-sulfonamide is sourced from PubChem (CID 62050110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).