2-(azepan-3-yl)thiomorpholine

C10H20N2S — CID 57269641

IUPAC2-(azepan-3-yl)thiomorpholine
SMILESC1CCC(C2CNCCS2)CNC1
InChIInChI=1S/C10H20N2S/c1-2-4-11-7-9(3-1)10-8-12-5-6-13-10/h9-12H,1-8H2
InChIKeyIOQGMHXQLWLWRJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.08
Rot. Bonds1

About 2-(azepan-3-yl)thiomorpholine

2-(azepan-3-yl)thiomorpholine (PubChem CID 57269641) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(azepan-3-yl)thiomorpholine.

Molecular Properties

Compound Name2-(azepan-3-yl)thiomorpholine
PubChem CID57269641
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(azepan-3-yl)thiomorpholine
SMILESC1CCC(C2CNCCS2)CNC1
InChIInChI=1S/C10H20N2S/c1-2-4-11-7-9(3-1)10-8-12-5-6-13-10/h9-12H,1-8H2
InChIKeyIOQGMHXQLWLWRJ-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-3-yl)thiomorpholine?
The IUPAC name of 2-(azepan-3-yl)thiomorpholine (CID 57269641) is 2-(azepan-3-yl)thiomorpholine.
What is the SMILES notation for 2-(azepan-3-yl)thiomorpholine?
The canonical SMILES for 2-(azepan-3-yl)thiomorpholine is C1CCC(C2CNCCS2)CNC1.
What is the InChIKey of 2-(azepan-3-yl)thiomorpholine?
The InChIKey is IOQGMHXQLWLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-4-11-7-9(3-1)10-8-12-5-6-13-10/h9-12H,1-8H2.
What are the key properties of 2-(azepan-3-yl)thiomorpholine?
2-(azepan-3-yl)thiomorpholine has a molecular weight of 200.35 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-3-yl)thiomorpholine is sourced from PubChem (CID 57269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).