N-[2-(aminomethylsulfanyl)ethyl]acetamide

C5H12N2OS — CID 173067817

IUPACN-[2-(aminomethylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCN
InChIInChI=1S/C5H12N2OS/c1-5(8)7-2-3-9-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyKDBAAOPYKUHIEN-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.23
Rot. Bonds4

About N-[2-(aminomethylsulfanyl)ethyl]acetamide

N-[2-(aminomethylsulfanyl)ethyl]acetamide (PubChem CID 173067817) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N-[2-(aminomethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethylsulfanyl)ethyl]acetamide
PubChem CID173067817
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN-[2-(aminomethylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCN
InChIInChI=1S/C5H12N2OS/c1-5(8)7-2-3-9-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyKDBAAOPYKUHIEN-UHFFFAOYSA-N
XLogP-0.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(aminomethylsulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(aminomethylsulfanyl)ethyl]acetamide (CID 173067817) is N-[2-(aminomethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(aminomethylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(aminomethylsulfanyl)ethyl]acetamide is CC(=O)NCCSCN.
What is the InChIKey of N-[2-(aminomethylsulfanyl)ethyl]acetamide?
The InChIKey is KDBAAOPYKUHIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-5(8)7-2-3-9-4-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of N-[2-(aminomethylsulfanyl)ethyl]acetamide?
N-[2-(aminomethylsulfanyl)ethyl]acetamide has a molecular weight of 148.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 173067817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).