5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one

C8H16N2O2S — CID 66233469

IUPAC5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC(N)CCSCC1CNC(=O)O1
InChIInChI=1S/C8H16N2O2S/c1-6(9)2-3-13-5-7-4-10-8(11)12-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyXNSQNVPJWACYBJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.57
Rot. Bonds5

About 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one

5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 66233469) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one
PubChem CID66233469
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC(N)CCSCC1CNC(=O)O1
InChIInChI=1S/C8H16N2O2S/c1-6(9)2-3-13-5-7-4-10-8(11)12-7/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyXNSQNVPJWACYBJ-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one (CID 66233469) is 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one is CC(N)CCSCC1CNC(=O)O1.
What is the InChIKey of 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is XNSQNVPJWACYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-6(9)2-3-13-5-7-4-10-8(11)12-7/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one?
5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 204.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).