4-butyl-2-ethylthiomorpholine

C10H21NS — CID 13356762

IUPAC4-butyl-2-ethylthiomorpholine
SMILESCCCCN1CCSC(CC)C1
InChIInChI=1S/C10H21NS/c1-3-5-6-11-7-8-12-10(4-2)9-11/h10H,3-9H2,1-2H3
InChIKeySLWALKPAYVJSKJ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds4

About 4-butyl-2-ethylthiomorpholine

4-butyl-2-ethylthiomorpholine (PubChem CID 13356762) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-butyl-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-butyl-2-ethylthiomorpholine
PubChem CID13356762
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-butyl-2-ethylthiomorpholine
SMILESCCCCN1CCSC(CC)C1
InChIInChI=1S/C10H21NS/c1-3-5-6-11-7-8-12-10(4-2)9-11/h10H,3-9H2,1-2H3
InChIKeySLWALKPAYVJSKJ-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethylthiomorpholine?
The IUPAC name of 4-butyl-2-ethylthiomorpholine (CID 13356762) is 4-butyl-2-ethylthiomorpholine.
What is the SMILES notation for 4-butyl-2-ethylthiomorpholine?
The canonical SMILES for 4-butyl-2-ethylthiomorpholine is CCCCN1CCSC(CC)C1.
What is the InChIKey of 4-butyl-2-ethylthiomorpholine?
The InChIKey is SLWALKPAYVJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-5-6-11-7-8-12-10(4-2)9-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-butyl-2-ethylthiomorpholine?
4-butyl-2-ethylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethylthiomorpholine is sourced from PubChem (CID 13356762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).