N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide

C5H13NO3S — CID 154657226

IUPACN-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide
SMILESCCC(=O)NS(O)(O)CC
InChIInChI=1S/C5H13NO3S/c1-3-5(7)6-10(8,9)4-2/h8-9H,3-4H2,1-2H3,(H,6,7)
InChIKeyKCPXRNLIVQFRGT-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.20
Rot. Bonds3

About N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide

N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide (PubChem CID 154657226) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide.

Molecular Properties

Compound NameN-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide
PubChem CID154657226
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide
SMILESCCC(=O)NS(O)(O)CC
InChIInChI=1S/C5H13NO3S/c1-3-5(7)6-10(8,9)4-2/h8-9H,3-4H2,1-2H3,(H,6,7)
InChIKeyKCPXRNLIVQFRGT-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide
CID 57177798
N-(2-oxopropylsulfamoyl)propanamide
CID 59017649
N-(2,3-dimethylbutan-2-ylsulfamoyl)propanamide
CID 137470654
N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen
CID 167519984
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299
CID 72786756
CID 72786756
N-bromopropanamide
CID 15647963
N-methylpropanamide;propane
CID 91316585
ethane;N-undecylpropanamide
CID 155706114
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
N-methylpropanamide;1-methylsulfonylpropane
CID 160744917

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide?
The IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide (CID 154657226) is N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide.
What is the SMILES notation for N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide?
The canonical SMILES for N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide is CCC(=O)NS(O)(O)CC.
What is the InChIKey of N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide?
The InChIKey is KCPXRNLIVQFRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-5(7)6-10(8,9)4-2/h8-9H,3-4H2,1-2H3,(H,6,7).
What are the key properties of N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide?
N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide has a molecular weight of 167.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(dihydroxy)-λ4-sulfanyl]propanamide is sourced from PubChem (CID 154657226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).