3-amino-N-ethyl-N-propylpropane-1-sulfonamide

C8H20N2O2S — CID 60910344

IUPAC3-amino-N-ethyl-N-propylpropane-1-sulfonamide
SMILESCCCN(CC)S(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O2S/c1-3-7-10(4-2)13(11,12)8-5-6-9/h3-9H2,1-2H3
InChIKeyJKURGCZMQKSSTO-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.40
Rot. Bonds7

About 3-amino-N-ethyl-N-propylpropane-1-sulfonamide

3-amino-N-ethyl-N-propylpropane-1-sulfonamide (PubChem CID 60910344) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-propylpropane-1-sulfonamide
PubChem CID60910344
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-ethyl-N-propylpropane-1-sulfonamide
SMILESCCCN(CC)S(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O2S/c1-3-7-10(4-2)13(11,12)8-5-6-9/h3-9H2,1-2H3
InChIKeyJKURGCZMQKSSTO-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
4-aminobutyl(propyl)sulfamic acid
CID 21316255
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334
N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
CID 80675973
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
2-[(2-amino-2-oxoethyl)-(3-aminopropylsulfonyl)amino]acetamide
CID 62924113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-propylpropane-1-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-N-propylpropane-1-sulfonamide (CID 60910344) is 3-amino-N-ethyl-N-propylpropane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N-propylpropane-1-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N-propylpropane-1-sulfonamide is CCCN(CC)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-ethyl-N-propylpropane-1-sulfonamide?
The InChIKey is JKURGCZMQKSSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-7-10(4-2)13(11,12)8-5-6-9/h3-9H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-propylpropane-1-sulfonamide?
3-amino-N-ethyl-N-propylpropane-1-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 60910344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).