N-aminosulfanyl-N-methylformamide

C2H6N2OS — CID 165119652

IUPACN-aminosulfanyl-N-methylformamide
SMILESCN(C=O)SN
InChIInChI=1S/C2H6N2OS/c1-4(2-5)6-3/h2H,3H2,1H3
InChIKeySZMXZKCALKLFDP-UHFFFAOYSA-N
MW106.15 g/mol
LogP-0.40
Rot. Bonds2

About N-aminosulfanyl-N-methylformamide

N-aminosulfanyl-N-methylformamide (PubChem CID 165119652) has the molecular formula C2H6N2OS and a molecular weight of 106.15 g/mol. Its IUPAC name is N-aminosulfanyl-N-methylformamide.

Molecular Properties

Compound NameN-aminosulfanyl-N-methylformamide
PubChem CID165119652
Molecular FormulaC2H6N2OS
Molecular Weight106.15 g/mol
Exact Mass106.02
IUPAC NameN-aminosulfanyl-N-methylformamide
SMILESCN(C=O)SN
InChIInChI=1S/C2H6N2OS/c1-4(2-5)6-3/h2H,3H2,1H3
InChIKeySZMXZKCALKLFDP-UHFFFAOYSA-N
XLogP-0.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-aminosulfanyl-N-methylformamide 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-aminosulfanyl-N-methylformamide?
The IUPAC name of N-aminosulfanyl-N-methylformamide (CID 165119652) is N-aminosulfanyl-N-methylformamide.
What is the SMILES notation for N-aminosulfanyl-N-methylformamide?
The canonical SMILES for N-aminosulfanyl-N-methylformamide is CN(C=O)SN.
What is the InChIKey of N-aminosulfanyl-N-methylformamide?
The InChIKey is SZMXZKCALKLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2OS/c1-4(2-5)6-3/h2H,3H2,1H3.
What are the key properties of N-aminosulfanyl-N-methylformamide?
N-aminosulfanyl-N-methylformamide has a molecular weight of 106.15 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminosulfanyl-N-methylformamide is sourced from PubChem (CID 165119652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).