N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide

C10H24N2O3S — CID 63287729

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCN)CCOC
InChIInChI=1S/C10H24N2O3S/c1-3-4-10-16(13,14)12(7-5-6-11)8-9-15-2/h3-11H2,1-2H3
InChIKeyPTTWFWHEPXZKBM-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.41
Rot. Bonds10

About N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide

N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide (PubChem CID 63287729) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
PubChem CID63287729
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCN)CCOC
InChIInChI=1S/C10H24N2O3S/c1-3-4-10-16(13,14)12(7-5-6-11)8-9-15-2/h3-11H2,1-2H3
InChIKeyPTTWFWHEPXZKBM-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
CID 82839573
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 103340731
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
3-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)propane-1-sulfonamide
CID 54877226
2-[[3-aminopropyl(2-methoxyethyl)sulfamoyl]amino]-2-methylpropane
CID 114804003
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide (CID 63287729) is N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCCN)CCOC.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide?
The InChIKey is PTTWFWHEPXZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-3-4-10-16(13,14)12(7-5-6-11)8-9-15-2/h3-11H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 63287729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).