N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide

C8H15NO2S — CID 43577005

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCO)C1CC1
InChIInChI=1S/C8H15NO2S/c1-12-6-8(11)9(4-5-10)7-2-3-7/h7,10H,2-6H2,1H3
InChIKeySELCLYISZBLCIG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.33
Rot. Bonds5

About N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide

N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide (PubChem CID 43577005) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
PubChem CID43577005
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)N(CCO)C1CC1
InChIInChI=1S/C8H15NO2S/c1-12-6-8(11)9(4-5-10)7-2-3-7/h7,10H,2-6H2,1H3
InChIKeySELCLYISZBLCIG-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide (CID 43577005) is N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide is CSCC(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
The InChIKey is SELCLYISZBLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12-6-8(11)9(4-5-10)7-2-3-7/h7,10H,2-6H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide?
N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide has a molecular weight of 189.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 43577005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).