N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide

C8H19NO3S — CID 61424696

IUPACN-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-4-5-9(6-7-10)13(11,12)8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyZXTUFZFXLORLIQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds6

About N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide

N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide (PubChem CID 61424696) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide
PubChem CID61424696
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-4-5-9(6-7-10)13(11,12)8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyZXTUFZFXLORLIQ-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide (CID 61424696) is N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide is CCCN(CCO)S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide?
The InChIKey is ZXTUFZFXLORLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-5-9(6-7-10)13(11,12)8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide?
N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylpropane-2-sulfonamide is sourced from PubChem (CID 61424696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).