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

C12H26N2O3S — CID 114142692

IUPAC4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-3-13-7-4-5-9-18(15,16)14-12-6-8-17-11(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyUIQGEVIZYJVCJF-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.86
Rot. Bonds8

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

4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide (PubChem CID 114142692) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
PubChem CID114142692
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-3-13-7-4-5-9-18(15,16)14-12-6-8-17-11(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyUIQGEVIZYJVCJF-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.86
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-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
N-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106093077
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
CID 103887652
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 103910287
N-(oxan-4-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114135293
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide (CID 114142692) is 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC1CCOC(C)C1.
What is the InChIKey of 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide?
The InChIKey is UIQGEVIZYJVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-13-7-4-5-9-18(15,16)14-12-6-8-17-11(2)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide?
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 114142692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).