1-(silylmethyl)azepane-3-thione

C7H15NSSi — CID 164985072

IUPAC1-(silylmethyl)azepane-3-thione
SMILES[SiH3]CN1CCCCC(=S)C1
InChIInChI=1S/C7H15NSSi/c9-7-3-1-2-4-8(5-7)6-10/h1-6H2,10H3
InChIKeySBEOSSHSXBMAAG-UHFFFAOYSA-N
MW173.36 g/mol
LogP0.17
Rot. Bonds1

About 1-(silylmethyl)azepane-3-thione

1-(silylmethyl)azepane-3-thione (PubChem CID 164985072) has the molecular formula C7H15NSSi and a molecular weight of 173.36 g/mol. Its IUPAC name is 1-(silylmethyl)azepane-3-thione.

Molecular Properties

Compound Name1-(silylmethyl)azepane-3-thione
PubChem CID164985072
Molecular FormulaC7H15NSSi
Molecular Weight173.36 g/mol
Exact Mass173.07
IUPAC Name1-(silylmethyl)azepane-3-thione
SMILES[SiH3]CN1CCCCC(=S)C1
InChIInChI=1S/C7H15NSSi/c9-7-3-1-2-4-8(5-7)6-10/h1-6H2,10H3
InChIKeySBEOSSHSXBMAAG-UHFFFAOYSA-N
XLogP0.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.36
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2-thione
CID 5106601
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
CID 88997188
CID 88997188
3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149171
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
pyrrolidin-1-ylmethoxysilane
CID 154479842
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
(4-fluorophenyl)methyl-dimethyl-(pyrrolidin-1-ylmethyl)silane
CID 19007253
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-(bromomethyl)pyrrolidine
CID 19386827

Frequently Asked Questions

What is the IUPAC name of 1-(silylmethyl)azepane-3-thione?
The IUPAC name of 1-(silylmethyl)azepane-3-thione (CID 164985072) is 1-(silylmethyl)azepane-3-thione.
What is the SMILES notation for 1-(silylmethyl)azepane-3-thione?
The canonical SMILES for 1-(silylmethyl)azepane-3-thione is [SiH3]CN1CCCCC(=S)C1.
What is the InChIKey of 1-(silylmethyl)azepane-3-thione?
The InChIKey is SBEOSSHSXBMAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NSSi/c9-7-3-1-2-4-8(5-7)6-10/h1-6H2,10H3.
What are the key properties of 1-(silylmethyl)azepane-3-thione?
1-(silylmethyl)azepane-3-thione has a molecular weight of 173.36 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(silylmethyl)azepane-3-thione is sourced from PubChem (CID 164985072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).