4-pentan-2-ylthiomorpholine

C9H19NS — CID 127402640

IUPAC4-pentan-2-ylthiomorpholine
SMILESCCCC(C)N1CCSCC1
InChIInChI=1S/C9H19NS/c1-3-4-9(2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyZKYLBCGFKJRXSK-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds3

About 4-pentan-2-ylthiomorpholine

4-pentan-2-ylthiomorpholine (PubChem CID 127402640) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-pentan-2-ylthiomorpholine.

Molecular Properties

Compound Name4-pentan-2-ylthiomorpholine
PubChem CID127402640
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-pentan-2-ylthiomorpholine
SMILESCCCC(C)N1CCSCC1
InChIInChI=1S/C9H19NS/c1-3-4-9(2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyZKYLBCGFKJRXSK-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-pentan-2-ylthiomorpholine?
The IUPAC name of 4-pentan-2-ylthiomorpholine (CID 127402640) is 4-pentan-2-ylthiomorpholine.
What is the SMILES notation for 4-pentan-2-ylthiomorpholine?
The canonical SMILES for 4-pentan-2-ylthiomorpholine is CCCC(C)N1CCSCC1.
What is the InChIKey of 4-pentan-2-ylthiomorpholine?
The InChIKey is ZKYLBCGFKJRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-9(2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-pentan-2-ylthiomorpholine?
4-pentan-2-ylthiomorpholine 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-pentan-2-ylthiomorpholine is sourced from PubChem (CID 127402640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).