N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide

C11H26N2O3S — CID 79594432

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-13(9-11(4)8-12)17(14,15)7-6-16-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyRTHNBEKDTPARBO-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.66
Rot. Bonds9

About N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide

N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594432) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79594432
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-13(9-11(4)8-12)17(14,15)7-6-16-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyRTHNBEKDTPARBO-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-N-ethyl-2-methylsulfonylethanesulfonamide
CID 55173886
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79600077
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide
CID 63688773
N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
CID 64554271
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-ethyl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 118241668
N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593755
2-amino-N-ethyl-N-(2-ethylbutyl)ethanesulfonamide
CID 61437362
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
CID 79471044
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
CID 79592394

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide (CID 79594432) is N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide is CCN(CC(C)CN)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is RTHNBEKDTPARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-13(9-11(4)8-12)17(14,15)7-6-16-10(2)3/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.66, 9 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-ethyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).