oxan-4-yl(thiolan-3-yl)methanamine

C10H19NOS — CID 105147256

IUPACoxan-4-yl(thiolan-3-yl)methanamine
SMILESNC(C1CCOCC1)C1CCSC1
InChIInChI=1S/C10H19NOS/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h8-10H,1-7,11H2
InChIKeyKFFBCEFUGFPNPM-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.49
Rot. Bonds2

About oxan-4-yl(thiolan-3-yl)methanamine

oxan-4-yl(thiolan-3-yl)methanamine (PubChem CID 105147256) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is oxan-4-yl(thiolan-3-yl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl(thiolan-3-yl)methanamine
PubChem CID105147256
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nameoxan-4-yl(thiolan-3-yl)methanamine
SMILESNC(C1CCOCC1)C1CCSC1
InChIInChI=1S/C10H19NOS/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h8-10H,1-7,11H2
InChIKeyKFFBCEFUGFPNPM-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(thiolan-3-yl)methanamine?
The IUPAC name of oxan-4-yl(thiolan-3-yl)methanamine (CID 105147256) is oxan-4-yl(thiolan-3-yl)methanamine.
What is the SMILES notation for oxan-4-yl(thiolan-3-yl)methanamine?
The canonical SMILES for oxan-4-yl(thiolan-3-yl)methanamine is NC(C1CCOCC1)C1CCSC1.
What is the InChIKey of oxan-4-yl(thiolan-3-yl)methanamine?
The InChIKey is KFFBCEFUGFPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c11-10(9-3-6-13-7-9)8-1-4-12-5-2-8/h8-10H,1-7,11H2.
What are the key properties of oxan-4-yl(thiolan-3-yl)methanamine?
oxan-4-yl(thiolan-3-yl)methanamine has a molecular weight of 201.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(thiolan-3-yl)methanamine is sourced from PubChem (CID 105147256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).