3-methylsulfanylazepane

C7H15NS — CID 71756725

IUPAC3-methylsulfanylazepane
SMILESCSC1CCCCNC1
InChIInChI=1S/C7H15NS/c1-9-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyPIXHJJIKSFFOEF-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds1

About 3-methylsulfanylazepane

3-methylsulfanylazepane (PubChem CID 71756725) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methylsulfanylazepane.

Molecular Properties

Compound Name3-methylsulfanylazepane
PubChem CID71756725
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methylsulfanylazepane
SMILESCSC1CCCCNC1
InChIInChI=1S/C7H15NS/c1-9-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyPIXHJJIKSFFOEF-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylazepane?
The IUPAC name of 3-methylsulfanylazepane (CID 71756725) is 3-methylsulfanylazepane.
What is the SMILES notation for 3-methylsulfanylazepane?
The canonical SMILES for 3-methylsulfanylazepane is CSC1CCCCNC1.
What is the InChIKey of 3-methylsulfanylazepane?
The InChIKey is PIXHJJIKSFFOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-9-7-4-2-3-5-8-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-methylsulfanylazepane?
3-methylsulfanylazepane has a molecular weight of 145.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylazepane is sourced from PubChem (CID 71756725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).