3-(2-methylpropyl)-4-propan-2-ylthiomorpholine

C11H23NS — CID 129157092

IUPAC3-(2-methylpropyl)-4-propan-2-ylthiomorpholine
SMILESCC(C)CC1CSCCN1C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyLGZUBOLZEYCZCE-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine

3-(2-methylpropyl)-4-propan-2-ylthiomorpholine (PubChem CID 129157092) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-propan-2-ylthiomorpholine
PubChem CID129157092
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(2-methylpropyl)-4-propan-2-ylthiomorpholine
SMILESCC(C)CC1CSCCN1C(C)C
InChIInChI=1S/C11H23NS/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyLGZUBOLZEYCZCE-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine?
The IUPAC name of 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine (CID 129157092) is 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine?
The canonical SMILES for 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine is CC(C)CC1CSCCN1C(C)C.
What is the InChIKey of 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine?
The InChIKey is LGZUBOLZEYCZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine?
3-(2-methylpropyl)-4-propan-2-ylthiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 129157092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).