N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide

C12H22N2O3S — CID 115652579

IUPACN-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1occc1C)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-4-14(18(3,15)16)8-5-7-13-10-12-11(2)6-9-17-12/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyRVIMQUPCTYCVCX-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.35
Rot. Bonds8

About N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide (PubChem CID 115652579) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
PubChem CID115652579
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1occc1C)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-4-14(18(3,15)16)8-5-7-13-10-12-11(2)6-9-17-12/h6,9,13H,4-5,7-8,10H2,1-3H3
InChIKeyRVIMQUPCTYCVCX-UHFFFAOYSA-N
XLogP1.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide (CID 115652579) is N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide is CCN(CCCNCc1occc1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is RVIMQUPCTYCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-4-14(18(3,15)16)8-5-7-13-10-12-11(2)6-9-17-12/h6,9,13H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 115652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).