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

C11H24N2O3S — CID 63246420

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-3-11(4-2,9-12)13-17(14,15)8-10-6-5-7-16-10/h10,13H,3-9,12H2,1-2H3
InChIKeyWGBQIGKVZCSBHI-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.60
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246420) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246420
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H24N2O3S/c1-3-11(4-2,9-12)13-17(14,15)8-10-6-5-7-16-10/h10,13H,3-9,12H2,1-2H3
InChIKeyWGBQIGKVZCSBHI-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 63246420) is N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide is CCC(CC)(CN)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is WGBQIGKVZCSBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-11(4-2,9-12)13-17(14,15)8-10-6-5-7-16-10/h10,13H,3-9,12H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).