3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

C11H23NO4S — CID 153438740

IUPAC3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C)(C)SCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H23NO4S/c1-10(2,3)17-5-4-9(16)12-11(6-13,7-14)8-15/h13-15H,4-8H2,1-3H3,(H,12,16)
InChIKeyJJADVBAYMIMVIS-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.26
Rot. Bonds7

About 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (PubChem CID 153438740) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
PubChem CID153438740
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C)(C)SCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H23NO4S/c1-10(2,3)17-5-4-9(16)12-11(6-13,7-14)8-15/h13-15H,4-8H2,1-3H3,(H,12,16)
InChIKeyJJADVBAYMIMVIS-UHFFFAOYSA-N
XLogP-0.26
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The IUPAC name of 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (CID 153438740) is 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The canonical SMILES for 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is CC(C)(C)SCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The InChIKey is JJADVBAYMIMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2,3)17-5-4-9(16)12-11(6-13,7-14)8-15/h13-15H,4-8H2,1-3H3,(H,12,16).
What are the key properties of 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide has a molecular weight of 265.37 g/mol, XLogP of -0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is sourced from PubChem (CID 153438740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).