N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide

C12H25NO3S2 — CID 19389256

IUPACN,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide
SMILESCC(=O)N(CCCSCCO)CCCSCCO
InChIInChI=1S/C12H25NO3S2/c1-12(16)13(4-2-8-17-10-6-14)5-3-9-18-11-7-15/h14-15H,2-11H2,1H3
InChIKeyCGFIKAAZHWKLET-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.07
Rot. Bonds12

About N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide

N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide (PubChem CID 19389256) has the molecular formula C12H25NO3S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide.

Molecular Properties

Compound NameN,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide
PubChem CID19389256
Molecular FormulaC12H25NO3S2
Molecular Weight295.47 g/mol
Exact Mass295.13
IUPAC NameN,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide
SMILESCC(=O)N(CCCSCCO)CCCSCCO
InChIInChI=1S/C12H25NO3S2/c1-12(16)13(4-2-8-17-10-6-14)5-3-9-18-11-7-15/h14-15H,2-11H2,1H3
InChIKeyCGFIKAAZHWKLET-UHFFFAOYSA-N
XLogP1.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide?
The IUPAC name of N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide (CID 19389256) is N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide.
What is the SMILES notation for N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide?
The canonical SMILES for N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide is CC(=O)N(CCCSCCO)CCCSCCO.
What is the InChIKey of N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide?
The InChIKey is CGFIKAAZHWKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S2/c1-12(16)13(4-2-8-17-10-6-14)5-3-9-18-11-7-15/h14-15H,2-11H2,1H3.
What are the key properties of N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide?
N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide has a molecular weight of 295.47 g/mol, XLogP of 1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(2-hydroxyethylsulfanyl)propyl]acetamide is sourced from PubChem (CID 19389256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).