N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide

C11H26N2O3S — CID 79594002

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-11(6-2,9-12)13-17(14,15)8-7-16-10(3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyPFSRMWLFEMNEMQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.85
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594002) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79594002
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-11(6-2,9-12)13-17(14,15)8-7-16-10(3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyPFSRMWLFEMNEMQ-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.85
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]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide (CID 79594002) is N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide is CCC(CC)(CN)NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is PFSRMWLFEMNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-11(6-2,9-12)13-17(14,15)8-7-16-10(3)4/h10,13H,5-9,12H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.85, 9 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]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).