N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide

C9H22N2O3S — CID 63765608

IUPACN-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)CCOC
InChIInChI=1S/C9H22N2O3S/c1-3-4-6-11(7-5-10)15(12,13)9-8-14-2/h3-10H2,1-2H3
InChIKeyQGNIHVBNSJLCMZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.02
Rot. Bonds9

About N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide

N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide (PubChem CID 63765608) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
PubChem CID63765608
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)CCOC
InChIInChI=1S/C9H22N2O3S/c1-3-4-6-11(7-5-10)15(12,13)9-8-14-2/h3-10H2,1-2H3
InChIKeyQGNIHVBNSJLCMZ-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
CID 82839573
N,N-dipentylethanesulfonamide
CID 3453334
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide (CID 63765608) is N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide is CCCCN(CCN)S(=O)(=O)CCOC.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide?
The InChIKey is QGNIHVBNSJLCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-3-4-6-11(7-5-10)15(12,13)9-8-14-2/h3-10H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide?
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of 0.02, 9 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-methoxyethanesulfonamide is sourced from PubChem (CID 63765608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).