N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide

C8H20N2O2S — CID 61013786

IUPACN-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-9-7-6-8-10(5-2)13(3,11)12/h9H,4-8H2,1-3H3
InChIKeyPXOLWHNXVRJLQB-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.27
Rot. Bonds7

About N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide (PubChem CID 61013786) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide
PubChem CID61013786
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-9-7-6-8-10(5-2)13(3,11)12/h9H,4-8H2,1-3H3
InChIKeyPXOLWHNXVRJLQB-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide (CID 61013786) is N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide is CCNCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide?
The InChIKey is PXOLWHNXVRJLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-9-7-6-8-10(5-2)13(3,11)12/h9H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(ethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 61013786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).