(aminomethyldisulfanyl)methanamine

C4H16N4S4 — CID 161047239

IUPAC(aminomethyldisulfanyl)methanamine
SMILESNCSSCN.NCSSCN
InChIInChI=1S/2C2H8N2S2/c2*3-1-5-6-2-4/h2*1-4H2
InChIKeyUBQSFTOKTQLOKM-UHFFFAOYSA-N
MW248.47 g/mol
LogP0.40
Rot. Bonds6

About (aminomethyldisulfanyl)methanamine

(aminomethyldisulfanyl)methanamine (PubChem CID 161047239) has the molecular formula C4H16N4S4 and a molecular weight of 248.47 g/mol. Its IUPAC name is (aminomethyldisulfanyl)methanamine.

Molecular Properties

Compound Name(aminomethyldisulfanyl)methanamine
PubChem CID161047239
Molecular FormulaC4H16N4S4
Molecular Weight248.47 g/mol
Exact Mass248.03
IUPAC Name(aminomethyldisulfanyl)methanamine
SMILESNCSSCN.NCSSCN
InChIInChI=1S/2C2H8N2S2/c2*3-1-5-6-2-4/h2*1-4H2
InChIKeyUBQSFTOKTQLOKM-UHFFFAOYSA-N
XLogP0.40
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.47
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (aminomethyldisulfanyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
CID 160817731
aminomethanethiol;2-(aminomethyldisulfanyl)acetic acid;(aminomethyldisulfanyl)methanamine;2-(carboxymethyldisulfanyl)acetic acid;2-sulfanylacetic acid
CID 160556777
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
2-[[[3-amino-2-(aminomethyl)propyl]disulfanyl]methyl]propane-1,3-diamine
CID 121000013
trifluoromethylsulfanylmethanamine
CID 87937224
N'-[2-[2-(4-aminobutylamino)ethyldisulfanyl]ethyl]butane-1,4-diamine
CID 22320885
methanediamine;titanium
CID 175360985
methylsulfonylsulfanylmethanamine
CID 4133024
[(Z)-prop-1-enyl]sulfanylmethanamine
CID 143909807
CID 173101067
CID 173101067
aminomethanolate
CID 59078979
ethane-1,2-diamine;gold(3+)
CID 159014710

Frequently Asked Questions

What is the IUPAC name of (aminomethyldisulfanyl)methanamine?
The IUPAC name of (aminomethyldisulfanyl)methanamine (CID 161047239) is (aminomethyldisulfanyl)methanamine.
What is the SMILES notation for (aminomethyldisulfanyl)methanamine?
The canonical SMILES for (aminomethyldisulfanyl)methanamine is NCSSCN.NCSSCN.
What is the InChIKey of (aminomethyldisulfanyl)methanamine?
The InChIKey is UBQSFTOKTQLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2S2/c2*3-1-5-6-2-4/h2*1-4H2.
What are the key properties of (aminomethyldisulfanyl)methanamine?
(aminomethyldisulfanyl)methanamine has a molecular weight of 248.47 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (aminomethyldisulfanyl)methanamine is sourced from PubChem (CID 161047239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).