N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide

C8H16N2O4S — CID 23036620

IUPACN-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide
SMILESCC(=O)NC(CO)SC(CO)NC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-5(13)9-7(3-11)15-8(4-12)10-6(2)14/h7-8,11-12H,3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKeySIQWOJXCCAWRDX-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.37
Rot. Bonds6

About N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide

N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide (PubChem CID 23036620) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide
PubChem CID23036620
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide
SMILESCC(=O)NC(CO)SC(CO)NC(C)=O
InChIInChI=1S/C8H16N2O4S/c1-5(13)9-7(3-11)15-8(4-12)10-6(2)14/h7-8,11-12H,3-4H2,1-2H3,(H,9,13)(H,10,14)
InChIKeySIQWOJXCCAWRDX-UHFFFAOYSA-N
XLogP-1.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide?
The IUPAC name of N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide (CID 23036620) is N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide is CC(=O)NC(CO)SC(CO)NC(C)=O.
What is the InChIKey of N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide?
The InChIKey is SIQWOJXCCAWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-5(13)9-7(3-11)15-8(4-12)10-6(2)14/h7-8,11-12H,3-4H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide?
N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide has a molecular weight of 236.29 g/mol, XLogP of -1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetamido-2-hydroxyethyl)sulfanyl-2-hydroxyethyl]acetamide is sourced from PubChem (CID 23036620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).