N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide

C12H26N2O3S — CID 62049927

IUPACN-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(3,10-13)14(5-2)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3
InChIKeyWUENNZFOCZCEFT-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.94
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide (PubChem CID 62049927) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide
PubChem CID62049927
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(3,10-13)14(5-2)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3
InChIKeyWUENNZFOCZCEFT-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-[1-(aminomethyl)cyclopentyl]-N-methyloxane-4-sulfonamide
CID 55031343
N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
CID 55174885
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175079
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
N-[3-(aminomethyl)pentan-3-yl]-2-ethoxy-N-ethylethanesulfonamide
CID 55175847
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide
CID 62007659

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide (CID 62049927) is N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide?
The InChIKey is WUENNZFOCZCEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(3,10-13)14(5-2)18(15,16)11-6-8-17-9-7-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 62049927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).