N-(2-aminoethyl)-N-propylpropane-1-sulfonamide

C8H20N2O2S — CID 61348593

IUPACN-(2-aminoethyl)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)CCC
InChIInChI=1S/C8H20N2O2S/c1-3-6-10(7-5-9)13(11,12)8-4-2/h3-9H2,1-2H3
InChIKeyUVNMZZVCVPBJML-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.40
Rot. Bonds7

About N-(2-aminoethyl)-N-propylpropane-1-sulfonamide

N-(2-aminoethyl)-N-propylpropane-1-sulfonamide (PubChem CID 61348593) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propylpropane-1-sulfonamide
PubChem CID61348593
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(2-aminoethyl)-N-propylpropane-1-sulfonamide
SMILESCCCN(CCN)S(=O)(=O)CCC
InChIInChI=1S/C8H20N2O2S/c1-3-6-10(7-5-9)13(11,12)8-4-2/h3-9H2,1-2H3
InChIKeyUVNMZZVCVPBJML-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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propylpropane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-propylpropane-1-sulfonamide (CID 61348593) is N-(2-aminoethyl)-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-propylpropane-1-sulfonamide is CCCN(CCN)S(=O)(=O)CCC.
What is the InChIKey of N-(2-aminoethyl)-N-propylpropane-1-sulfonamide?
The InChIKey is UVNMZZVCVPBJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-6-10(7-5-9)13(11,12)8-4-2/h3-9H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propylpropane-1-sulfonamide?
N-(2-aminoethyl)-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 N-(2-aminoethyl)-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 61348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).