3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide

C11H24N2O3S — CID 106016480

IUPAC3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-2-12-6-4-8-17(14,15)13-9-11-5-3-7-16-10-11/h11-13H,2-10H2,1H3
InChIKeyIVZZFDHWPWYAQU-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.33
Rot. Bonds8

About 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide

3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide (PubChem CID 106016480) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
PubChem CID106016480
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-2-12-6-4-8-17(14,15)13-9-11-5-3-7-16-10-11/h11-13H,2-10H2,1H3
InChIKeyIVZZFDHWPWYAQU-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.33
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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Related Compounds

N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide (CID 106016480) is 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NCC1CCCOC1.
What is the InChIKey of 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is IVZZFDHWPWYAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-12-6-4-8-17(14,15)13-9-11-5-3-7-16-10-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide?
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106016480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).