methanidyl(thietan-3-ylmethyl)azanium

C5H11NS — CID 155624976

IUPACmethanidyl(thietan-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CSC1
InChIInChI=1S/C5H11NS/c1-6-2-5-3-7-4-5/h5H,1-4,6H2
InChIKeyWKCWLKNETFEGJL-UHFFFAOYSA-N
MW117.22 g/mol
LogP-0.30
Rot. Bonds2

About methanidyl(thietan-3-ylmethyl)azanium

methanidyl(thietan-3-ylmethyl)azanium (PubChem CID 155624976) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is methanidyl(thietan-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethanidyl(thietan-3-ylmethyl)azanium
PubChem CID155624976
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namemethanidyl(thietan-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CSC1
InChIInChI=1S/C5H11NS/c1-6-2-5-3-7-4-5/h5H,1-4,6H2
InChIKeyWKCWLKNETFEGJL-UHFFFAOYSA-N
XLogP-0.30
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanidyl(thietan-3-ylmethyl)azanium 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

cyclopropylmethyl(methanidyl)azanium
CID 23378720
3-ethylthietane;yttrium
CID 148944500
3-(2-tritioethyl)thietane
CID 58271562
3,5-bis(prop-2-ynyl)thiane
CID 152679151
1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
tetrakis(thietan-3-yl)stannane
CID 67071946
thietan-3-yl-λ2-stannane
CID 173079136
1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
CID 84650815
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
thiane-3,5-diamine
CID 156770129
2-(thietan-3-ylmethyl)pyrrolidine
CID 83905279
2-(hydroxymethyl)-3-(thietan-3-yl)propanoic acid
CID 83816635

Frequently Asked Questions

What is the IUPAC name of methanidyl(thietan-3-ylmethyl)azanium?
The IUPAC name of methanidyl(thietan-3-ylmethyl)azanium (CID 155624976) is methanidyl(thietan-3-ylmethyl)azanium.
What is the SMILES notation for methanidyl(thietan-3-ylmethyl)azanium?
The canonical SMILES for methanidyl(thietan-3-ylmethyl)azanium is [CH2-][NH2+]CC1CSC1.
What is the InChIKey of methanidyl(thietan-3-ylmethyl)azanium?
The InChIKey is WKCWLKNETFEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-2-5-3-7-4-5/h5H,1-4,6H2.
What are the key properties of methanidyl(thietan-3-ylmethyl)azanium?
methanidyl(thietan-3-ylmethyl)azanium has a molecular weight of 117.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(thietan-3-ylmethyl)azanium is sourced from PubChem (CID 155624976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).