N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide

C8H20N2O2S — CID 89224258

IUPACN-ethyl-N-[3-(methylamino)butyl]methanesulfonamide
SMILESCCN(CCC(C)NC)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-5-10(13(4,11)12)7-6-8(2)9-3/h8-9H,5-7H2,1-4H3
InChIKeyKULWCEIBNGTJDQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.27
Rot. Bonds6

About N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide

N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide (PubChem CID 89224258) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(methylamino)butyl]methanesulfonamide
PubChem CID89224258
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-ethyl-N-[3-(methylamino)butyl]methanesulfonamide
SMILESCCN(CCC(C)NC)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-5-10(13(4,11)12)7-6-8(2)9-3/h8-9H,5-7H2,1-4H3
InChIKeyKULWCEIBNGTJDQ-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide (CID 89224258) is N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide is CCN(CCC(C)NC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide?
The InChIKey is KULWCEIBNGTJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-10(13(4,11)12)7-6-8(2)9-3/h8-9H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide?
N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(methylamino)butyl]methanesulfonamide is sourced from PubChem (CID 89224258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).