4-tert-butyl-2-methylidenethiomorpholine

C9H17NS — CID 70670572

IUPAC4-tert-butyl-2-methylidenethiomorpholine
SMILESC=C1CN(C(C)(C)C)CCS1
InChIInChI=1S/C9H17NS/c1-8-7-10(5-6-11-8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyUAEXJMZMFDNHIH-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds

About 4-tert-butyl-2-methylidenethiomorpholine

4-tert-butyl-2-methylidenethiomorpholine (PubChem CID 70670572) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidenethiomorpholine.

Molecular Properties

Compound Name4-tert-butyl-2-methylidenethiomorpholine
PubChem CID70670572
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-tert-butyl-2-methylidenethiomorpholine
SMILESC=C1CN(C(C)(C)C)CCS1
InChIInChI=1S/C9H17NS/c1-8-7-10(5-6-11-8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyUAEXJMZMFDNHIH-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylidenethiomorpholine?
The IUPAC name of 4-tert-butyl-2-methylidenethiomorpholine (CID 70670572) is 4-tert-butyl-2-methylidenethiomorpholine.
What is the SMILES notation for 4-tert-butyl-2-methylidenethiomorpholine?
The canonical SMILES for 4-tert-butyl-2-methylidenethiomorpholine is C=C1CN(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-2-methylidenethiomorpholine?
The InChIKey is UAEXJMZMFDNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8-7-10(5-6-11-8)9(2,3)4/h1,5-7H2,2-4H3.
What are the key properties of 4-tert-butyl-2-methylidenethiomorpholine?
4-tert-butyl-2-methylidenethiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidenethiomorpholine is sourced from PubChem (CID 70670572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).