N-(2-hydroxyethyl)-N-propylmethanesulfinamide

C6H15NO2S — CID 130785567

IUPACN-(2-hydroxyethyl)-N-propylmethanesulfinamide
SMILESCCCN(CCO)S(C)=O
InChIInChI=1S/C6H15NO2S/c1-3-4-7(5-6-8)10(2)9/h8H,3-6H2,1-2H3
InChIKeyFNSHJSJMVKOGHY-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.02
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propylmethanesulfinamide

N-(2-hydroxyethyl)-N-propylmethanesulfinamide (PubChem CID 130785567) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylmethanesulfinamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylmethanesulfinamide
PubChem CID130785567
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(2-hydroxyethyl)-N-propylmethanesulfinamide
SMILESCCCN(CCO)S(C)=O
InChIInChI=1S/C6H15NO2S/c1-3-4-7(5-6-8)10(2)9/h8H,3-6H2,1-2H3
InChIKeyFNSHJSJMVKOGHY-UHFFFAOYSA-N
XLogP-0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylmethanesulfinamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylmethanesulfinamide (CID 130785567) is N-(2-hydroxyethyl)-N-propylmethanesulfinamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylmethanesulfinamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylmethanesulfinamide is CCCN(CCO)S(C)=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylmethanesulfinamide?
The InChIKey is FNSHJSJMVKOGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-4-7(5-6-8)10(2)9/h8H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylmethanesulfinamide?
N-(2-hydroxyethyl)-N-propylmethanesulfinamide has a molecular weight of 165.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylmethanesulfinamide is sourced from PubChem (CID 130785567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).