2-methyl-3-propan-2-ylthiomorpholine

C8H17NS — CID 45096104

IUPAC2-methyl-3-propan-2-ylthiomorpholine
SMILESCC(C)C1NCCSC1C
InChIInChI=1S/C8H17NS/c1-6(2)8-7(3)10-5-4-9-8/h6-9H,4-5H2,1-3H3
InChIKeyBLRPWNMYTKVDKI-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-3-propan-2-ylthiomorpholine

2-methyl-3-propan-2-ylthiomorpholine (PubChem CID 45096104) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylthiomorpholine
PubChem CID45096104
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-3-propan-2-ylthiomorpholine
SMILESCC(C)C1NCCSC1C
InChIInChI=1S/C8H17NS/c1-6(2)8-7(3)10-5-4-9-8/h6-9H,4-5H2,1-3H3
InChIKeyBLRPWNMYTKVDKI-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylthiomorpholine?
The IUPAC name of 2-methyl-3-propan-2-ylthiomorpholine (CID 45096104) is 2-methyl-3-propan-2-ylthiomorpholine.
What is the SMILES notation for 2-methyl-3-propan-2-ylthiomorpholine?
The canonical SMILES for 2-methyl-3-propan-2-ylthiomorpholine is CC(C)C1NCCSC1C.
What is the InChIKey of 2-methyl-3-propan-2-ylthiomorpholine?
The InChIKey is BLRPWNMYTKVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6(2)8-7(3)10-5-4-9-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylthiomorpholine?
2-methyl-3-propan-2-ylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylthiomorpholine is sourced from PubChem (CID 45096104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).