4-tert-butylthiomorpholine

C8H17NS — CID 18343174

IUPAC4-tert-butylthiomorpholine
SMILESCC(C)(C)N1CCSCC1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H2,1-3H3
InChIKeyIKOUTENUYNBSMI-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds

About 4-tert-butylthiomorpholine

4-tert-butylthiomorpholine (PubChem CID 18343174) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-tert-butylthiomorpholine.

Molecular Properties

Compound Name4-tert-butylthiomorpholine
PubChem CID18343174
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-tert-butylthiomorpholine
SMILESCC(C)(C)N1CCSCC1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H2,1-3H3
InChIKeyIKOUTENUYNBSMI-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylthiomorpholine?
The IUPAC name of 4-tert-butylthiomorpholine (CID 18343174) is 4-tert-butylthiomorpholine.
What is the SMILES notation for 4-tert-butylthiomorpholine?
The canonical SMILES for 4-tert-butylthiomorpholine is CC(C)(C)N1CCSCC1.
What is the InChIKey of 4-tert-butylthiomorpholine?
The InChIKey is IKOUTENUYNBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H2,1-3H3.
What are the key properties of 4-tert-butylthiomorpholine?
4-tert-butylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylthiomorpholine is sourced from PubChem (CID 18343174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).