4-methyl-2-propan-2-ylthiomorpholine

C8H17NS — CID 57305038

IUPAC4-methyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1CN(C)CCS1
InChIInChI=1S/C8H17NS/c1-7(2)8-6-9(3)4-5-10-8/h7-8H,4-6H2,1-3H3
InChIKeyYGVWXNOJGGVZAF-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds1

About 4-methyl-2-propan-2-ylthiomorpholine

4-methyl-2-propan-2-ylthiomorpholine (PubChem CID 57305038) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylthiomorpholine
PubChem CID57305038
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-methyl-2-propan-2-ylthiomorpholine
SMILESCC(C)C1CN(C)CCS1
InChIInChI=1S/C8H17NS/c1-7(2)8-6-9(3)4-5-10-8/h7-8H,4-6H2,1-3H3
InChIKeyYGVWXNOJGGVZAF-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylthiomorpholine?
The IUPAC name of 4-methyl-2-propan-2-ylthiomorpholine (CID 57305038) is 4-methyl-2-propan-2-ylthiomorpholine.
What is the SMILES notation for 4-methyl-2-propan-2-ylthiomorpholine?
The canonical SMILES for 4-methyl-2-propan-2-ylthiomorpholine is CC(C)C1CN(C)CCS1.
What is the InChIKey of 4-methyl-2-propan-2-ylthiomorpholine?
The InChIKey is YGVWXNOJGGVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)8-6-9(3)4-5-10-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylthiomorpholine?
4-methyl-2-propan-2-ylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylthiomorpholine is sourced from PubChem (CID 57305038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).