4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide

C11H26N2O3S — CID 106068224

IUPAC4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(CC)COC
InChIInChI=1S/C11H26N2O3S/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyVRZUWGLVVDBKHJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds11

About 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide

4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide (PubChem CID 106068224) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
PubChem CID106068224
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(CC)COC
InChIInChI=1S/C11H26N2O3S/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyVRZUWGLVVDBKHJ-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
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

4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 114142289
3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
CID 106068345
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide (CID 106068224) is 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC(CC)COC.
What is the InChIKey of 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide?
The InChIKey is VRZUWGLVVDBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide?
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 106068224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).