N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide

C11H26N2O3S — CID 79600959

IUPACN-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-5-7-13(8-6-12)17(14,15)10-9-16-11(2)3/h11H,4-10,12H2,1-3H3
InChIKeyNVMBIWUEWFQKMR-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.80
Rot. Bonds10

About N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide

N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600959) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79600959
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-5-7-13(8-6-12)17(14,15)10-9-16-11(2)3/h11H,4-10,12H2,1-3H3
InChIKeyNVMBIWUEWFQKMR-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

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Related Compounds

N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594432
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
CID 79592394
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79600077
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
3-[2-methylpropyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
CID 79600343
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N,N-dipentylethanesulfonamide
CID 3453334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide (CID 79600959) is N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide is CCCCN(CCN)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is NVMBIWUEWFQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-5-7-13(8-6-12)17(14,15)10-9-16-11(2)3/h11H,4-10,12H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide?
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).