3-butylthiomorpholine

C8H17NS — CID 22923677

IUPAC3-butylthiomorpholine
SMILESCCCCC1CSCCN1
InChIInChI=1S/C8H17NS/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3
InChIKeyQWCOYLHSPLONNI-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds3

About 3-butylthiomorpholine

3-butylthiomorpholine (PubChem CID 22923677) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-butylthiomorpholine.

Molecular Properties

Compound Name3-butylthiomorpholine
PubChem CID22923677
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-butylthiomorpholine
SMILESCCCCC1CSCCN1
InChIInChI=1S/C8H17NS/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3
InChIKeyQWCOYLHSPLONNI-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butylthiomorpholine?
The IUPAC name of 3-butylthiomorpholine (CID 22923677) is 3-butylthiomorpholine.
What is the SMILES notation for 3-butylthiomorpholine?
The canonical SMILES for 3-butylthiomorpholine is CCCCC1CSCCN1.
What is the InChIKey of 3-butylthiomorpholine?
The InChIKey is QWCOYLHSPLONNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-4-8-7-10-6-5-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-butylthiomorpholine?
3-butylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylthiomorpholine is sourced from PubChem (CID 22923677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).