N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide

C11H20N2O3S — CID 75504665

IUPACN-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)c1ccc(C)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-7-4-8-17(14,15)12-3/h5-6,10,12-13H,4,7-8H2,1-3H3
InChIKeyFHHSFXBDEZGMJX-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.18
Rot. Bonds7

About N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide

N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide (PubChem CID 75504665) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
PubChem CID75504665
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)c1ccc(C)o1
InChIInChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-7-4-8-17(14,15)12-3/h5-6,10,12-13H,4,7-8H2,1-3H3
InChIKeyFHHSFXBDEZGMJX-UHFFFAOYSA-N
XLogP1.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide (CID 75504665) is N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide is CNS(=O)(=O)CCCNC(C)c1ccc(C)o1.
What is the InChIKey of N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide?
The InChIKey is FHHSFXBDEZGMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9-5-6-11(16-9)10(2)13-7-4-8-17(14,15)12-3/h5-6,10,12-13H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide?
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide is sourced from PubChem (CID 75504665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).