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

C10H21NO2S — CID 62332881

IUPAC2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-8(12)6-11(5)9(13)7-14-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyREYLLOBUSRHFFT-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds4

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

2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62332881) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62332881
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-8(12)6-11(5)9(13)7-14-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyREYLLOBUSRHFFT-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide (CID 62332881) is 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is REYLLOBUSRHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(12)6-11(5)9(13)7-14-10(2,3)4/h8,12H,6-7H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide?
2-tert-butylsulfanyl-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 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-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).