N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine

C10H11N3SSe — CID 43715883

IUPACN-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
SMILESc1cc(NC2CCSC2)c2n[se]nc2c1
InChIInChI=1S/C10H11N3SSe/c1-2-8(11-7-4-5-14-6-7)10-9(3-1)12-15-13-10/h1-3,7,11H,4-6H2
InChIKeyBYAHUEYVARXJHL-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.60
Rot. Bonds2

About N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine

N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715883) has the molecular formula C10H11N3SSe and a molecular weight of 284.25 g/mol. Its IUPAC name is N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715883
Molecular FormulaC10H11N3SSe
Molecular Weight284.25 g/mol
Exact Mass284.98
IUPAC NameN-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
SMILESc1cc(NC2CCSC2)c2n[se]nc2c1
InChIInChI=1S/C10H11N3SSe/c1-2-8(11-7-4-5-14-6-7)10-9(3-1)12-15-13-10/h1-3,7,11H,4-6H2
InChIKeyBYAHUEYVARXJHL-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715874
N-(2,3-dichlorophenyl)thiolan-3-amine
CID 43209589
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
CID 60843224
N-(thian-3-yl)quinolin-5-amine
CID 62873049
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
1-(2H-benzotriazol-4-yl)-3-(thiolan-3-yl)urea
CID 72837754
2-amino-3-(thiolan-3-ylamino)benzoic acid
CID 103064516
3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
CID 103065179
2-chloro-6-(thiolan-3-ylamino)benzenecarbothioamide
CID 103063232
2-methyl-N-(thian-4-yl)quinolin-8-amine
CID 62953597
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine (CID 43715883) is N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine is c1cc(NC2CCSC2)c2n[se]nc2c1.
What is the InChIKey of N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is BYAHUEYVARXJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3SSe/c1-2-8(11-7-4-5-14-6-7)10-9(3-1)12-15-13-10/h1-3,7,11H,4-6H2.
What are the key properties of N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine?
N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 284.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).