5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine

C9H15NS4 — CID 146424227

IUPAC5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine
SMILESNC1CC2SSC2CCCC2SSC12
InChIInChI=1S/C9H15NS4/c10-5-4-8-6(11-13-8)2-1-3-7-9(5)14-12-7/h5-9H,1-4,10H2
InChIKeyMJHNWIWZQGKSOI-UHFFFAOYSA-N
MW265.49 g/mol
LogP3.15
Rot. Bonds

About 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine

5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine (PubChem CID 146424227) has the molecular formula C9H15NS4 and a molecular weight of 265.49 g/mol. Its IUPAC name is 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine.

Molecular Properties

Compound Name5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine
PubChem CID146424227
Molecular FormulaC9H15NS4
Molecular Weight265.49 g/mol
Exact Mass265.01
IUPAC Name5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine
SMILESNC1CC2SSC2CCCC2SSC12
InChIInChI=1S/C9H15NS4/c10-5-4-8-6(11-13-8)2-1-3-7-9(5)14-12-7/h5-9H,1-4,10H2
InChIKeyMJHNWIWZQGKSOI-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine 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

cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
7-azabicyclo[2.2.1]heptan-2-amine
CID 18534976
[(1R,2R)-2-aminocyclopropyl]azanium
CID 86306440
trans-(1S,2S)-2-bromocyclopentan-1-amine
CID 95970386
3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromen-5-amine;hydrochloride
CID 71389042
(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
CID 101020983
(2-amino-3-bicyclo[3.3.1]nonanyl)methanol
CID 89331972
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281501
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 95396709
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
CID 67294026

Frequently Asked Questions

What is the IUPAC name of 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine?
The IUPAC name of 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine (CID 146424227) is 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine.
What is the SMILES notation for 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine?
The canonical SMILES for 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine is NC1CC2SSC2CCCC2SSC12.
What is the InChIKey of 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine?
The InChIKey is MJHNWIWZQGKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS4/c10-5-4-8-6(11-13-8)2-1-3-7-9(5)14-12-7/h5-9H,1-4,10H2.
What are the key properties of 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine?
5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine has a molecular weight of 265.49 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine is sourced from PubChem (CID 146424227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).