2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide

C10H21NO3S — CID 61234329

IUPAC2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15-8-9(14)11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3
InChIKeyMJELXSLTCWUZBQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.33
Rot. Bonds6

About 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide

2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 61234329) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID61234329
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)CCO
InChIInChI=1S/C10H21NO3S/c1-10(2,3)15-8-9(14)11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3
InChIKeyMJELXSLTCWUZBQ-UHFFFAOYSA-N
XLogP0.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide (CID 61234329) is 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide is CC(C)(C)SCC(=O)N(CCO)CCO.
What is the InChIKey of 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is MJELXSLTCWUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)15-8-9(14)11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61234329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).