N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide

C8H17NO2S — CID 43572982

IUPACN-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
SMILESCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2)9(4-5-10)8(11)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyNPZUSZRTODTMGE-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.58
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide (PubChem CID 43572982) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
PubChem CID43572982
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
SMILESCSCC(=O)N(CCO)C(C)C
InChIInChI=1S/C8H17NO2S/c1-7(2)9(4-5-10)8(11)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyNPZUSZRTODTMGE-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide (CID 43572982) is N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide is CSCC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is NPZUSZRTODTMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9(4-5-10)8(11)6-12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).