N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide

C11H26N2O3S — CID 115710905

IUPACN-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCOCC(C)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H26N2O3S/c1-5-13(17(4,14)15)9-7-8-12-11(3)10-16-6-2/h11-12H,5-10H2,1-4H3
InChIKeyHBAOHCWJAMYVEG-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.67
Rot. Bonds10

About N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 115710905) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID115710905
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCOCC(C)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H26N2O3S/c1-5-13(17(4,14)15)9-7-8-12-11(3)10-16-6-2/h11-12H,5-10H2,1-4H3
InChIKeyHBAOHCWJAMYVEG-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide (CID 115710905) is N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide is CCOCC(C)NCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is HBAOHCWJAMYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-13(17(4,14)15)9-7-8-12-11(3)10-16-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 115710905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).