N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide

C15H32N2O3S — CID 106075642

IUPACN-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H32N2O3S/c1-4-15(5-2)13-14(9-11-20-15)17-21(18,19)12-8-7-10-16-6-3/h14,16-17H,4-13H2,1-3H3
InChIKeyPGGZNSAAZVSAEJ-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.03
Rot. Bonds10

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

N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106075642) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106075642
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC NameN-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H32N2O3S/c1-4-15(5-2)13-14(9-11-20-15)17-21(18,19)12-8-7-10-16-6-3/h14,16-17H,4-13H2,1-3H3
InChIKeyPGGZNSAAZVSAEJ-UHFFFAOYSA-N
XLogP2.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.03
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-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 83037279
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
CID 114142621
N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 102693289
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 103179364
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
CID 83036290

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide (CID 106075642) is N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC1CCOC(CC)(CC)C1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is PGGZNSAAZVSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-4-15(5-2)13-14(9-11-20-15)17-21(18,19)12-8-7-10-16-6-3/h14,16-17H,4-13H2,1-3H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide?
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106075642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).