N-[3-(ethylamino)propyl]methanesulfonamide

C6H16N2O2S — CID 43430993

IUPACN-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-7-5-4-6-8-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyQVCPKZLXHCHSNL-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.46
Rot. Bonds6

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

N-[3-(ethylamino)propyl]methanesulfonamide (PubChem CID 43430993) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]methanesulfonamide
PubChem CID43430993
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-7-5-4-6-8-11(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyQVCPKZLXHCHSNL-UHFFFAOYSA-N
XLogP-0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-[3-(ethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]methanesulfonamide (CID 43430993) is N-[3-(ethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]methanesulfonamide is CCNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(ethylamino)propyl]methanesulfonamide?
The InChIKey is QVCPKZLXHCHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-7-5-4-6-8-11(2,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[3-(ethylamino)propyl]methanesulfonamide?
N-[3-(ethylamino)propyl]methanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 43430993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).