N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide

C11H26N2O3S — CID 55172878

IUPACN-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)CCCOC
InChIInChI=1S/C11H26N2O3S/c1-5-11(3,10-12)13(6-2)17(14,15)9-7-8-16-4/h5-10,12H2,1-4H3
InChIKeyKDJKRDZAJXKQAY-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.80
Rot. Bonds9

About N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide (PubChem CID 55172878) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
PubChem CID55172878
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)CCCOC
InChIInChI=1S/C11H26N2O3S/c1-5-11(3,10-12)13(6-2)17(14,15)9-7-8-16-4/h5-10,12H2,1-4H3
InChIKeyKDJKRDZAJXKQAY-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide (CID 55172878) is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)CCCOC.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The InChIKey is KDJKRDZAJXKQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-11(3,10-12)13(6-2)17(14,15)9-7-8-16-4/h5-10,12H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.80, 9 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-ethyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55172878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).