N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide

C11H24N2O3S — CID 62048608

IUPACN-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyLJIIPZCBLZINCN-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.41
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide

N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide (PubChem CID 62048608) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
PubChem CID62048608
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyLJIIPZCBLZINCN-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide (CID 62048608) is N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide is CCN(CC(C)CN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide?
The InChIKey is LJIIPZCBLZINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(9-10(2)8-12)17(14,15)11-4-6-16-7-5-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 62048608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).