3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide

C11H24N2O3S — CID 114114574

IUPAC3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-3-12-7-5-9-17(14,15)13-11(2)6-4-8-16-10-11/h12-13H,3-10H2,1-2H3
InChIKeyJCXFGPYEIJHMFM-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds7

About 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide

3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide (PubChem CID 114114574) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide
PubChem CID114114574
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC1(C)CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-3-12-7-5-9-17(14,15)13-11(2)6-4-8-16-10-11/h12-13H,3-10H2,1-2H3
InChIKeyJCXFGPYEIJHMFM-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
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

2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide
CID 107652467
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
CID 106016480
N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 61368525
N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749
2-[3-(ethylamino)propylsulfonyl]ethanol
CID 19797796
3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
CID 114142621
N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide
CID 124882694

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide (CID 114114574) is 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NC1(C)CCCOC1.
What is the InChIKey of 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide?
The InChIKey is JCXFGPYEIJHMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-12-7-5-9-17(14,15)13-11(2)6-4-8-16-10-11/h12-13H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide?
3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 114114574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).