thiolan-3-ylmethylcyanamide

C6H10N2S — CID 107295841

IUPACthiolan-3-ylmethylcyanamide
SMILESN#CNCC1CCSC1
InChIInChI=1S/C6H10N2S/c7-5-8-3-6-1-2-9-4-6/h6,8H,1-4H2
InChIKeyWZITURCSLVKJJP-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.81
Rot. Bonds2

About thiolan-3-ylmethylcyanamide

thiolan-3-ylmethylcyanamide (PubChem CID 107295841) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is thiolan-3-ylmethylcyanamide.

Molecular Properties

Compound Namethiolan-3-ylmethylcyanamide
PubChem CID107295841
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Namethiolan-3-ylmethylcyanamide
SMILESN#CNCC1CCSC1
InChIInChI=1S/C6H10N2S/c7-5-8-3-6-1-2-9-4-6/h6,8H,1-4H2
InChIKeyWZITURCSLVKJJP-UHFFFAOYSA-N
XLogP0.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
sodium thiolan-3-ylmethanethiolate
CID 20706984
2-[4-(thiolan-3-ylmethylamino)phenyl]acetonitrile
CID 107131639
2-cyano-2-ethyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296193
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
3-(2,2-dimethylpropyl)thiolane
CID 58797584
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168

Frequently Asked Questions

What is the IUPAC name of thiolan-3-ylmethylcyanamide?
The IUPAC name of thiolan-3-ylmethylcyanamide (CID 107295841) is thiolan-3-ylmethylcyanamide.
What is the SMILES notation for thiolan-3-ylmethylcyanamide?
The canonical SMILES for thiolan-3-ylmethylcyanamide is N#CNCC1CCSC1.
What is the InChIKey of thiolan-3-ylmethylcyanamide?
The InChIKey is WZITURCSLVKJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-5-8-3-6-1-2-9-4-6/h6,8H,1-4H2.
What are the key properties of thiolan-3-ylmethylcyanamide?
thiolan-3-ylmethylcyanamide has a molecular weight of 142.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-ylmethylcyanamide is sourced from PubChem (CID 107295841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).