4-butyl-2-methylthiomorpholine

C9H19NS — CID 13356761

IUPAC4-butyl-2-methylthiomorpholine
SMILESCCCCN1CCSC(C)C1
InChIInChI=1S/C9H19NS/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyMTTUVASARWBKRR-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds3

About 4-butyl-2-methylthiomorpholine

4-butyl-2-methylthiomorpholine (PubChem CID 13356761) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-butyl-2-methylthiomorpholine.

Molecular Properties

Compound Name4-butyl-2-methylthiomorpholine
PubChem CID13356761
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-butyl-2-methylthiomorpholine
SMILESCCCCN1CCSC(C)C1
InChIInChI=1S/C9H19NS/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyMTTUVASARWBKRR-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylthiomorpholine?
The IUPAC name of 4-butyl-2-methylthiomorpholine (CID 13356761) is 4-butyl-2-methylthiomorpholine.
What is the SMILES notation for 4-butyl-2-methylthiomorpholine?
The canonical SMILES for 4-butyl-2-methylthiomorpholine is CCCCN1CCSC(C)C1.
What is the InChIKey of 4-butyl-2-methylthiomorpholine?
The InChIKey is MTTUVASARWBKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-butyl-2-methylthiomorpholine?
4-butyl-2-methylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylthiomorpholine is sourced from PubChem (CID 13356761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).