2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide

C9H19NO2S — CID 60740176

IUPAC2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)13-7-8(12)10(4)5-6-11/h11H,5-7H2,1-4H3
InChIKeyPAIPZWFOIHSGIT-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide

2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 60740176) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID60740176
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-9(2,3)13-7-8(12)10(4)5-6-11/h11H,5-7H2,1-4H3
InChIKeyPAIPZWFOIHSGIT-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide (CID 60740176) is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is PAIPZWFOIHSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)13-7-8(12)10(4)5-6-11/h11H,5-7H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 60740176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).