3-(2-methylpropyl)thiomorpholine

C8H17NS — CID 105431373

IUPAC3-(2-methylpropyl)thiomorpholine
SMILESCC(C)CC1CSCCN1
InChIInChI=1S/C8H17NS/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3
InChIKeyHVYMDUDIDYTIHS-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds2

About 3-(2-methylpropyl)thiomorpholine

3-(2-methylpropyl)thiomorpholine (PubChem CID 105431373) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(2-methylpropyl)thiomorpholine.

Molecular Properties

Compound Name3-(2-methylpropyl)thiomorpholine
PubChem CID105431373
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(2-methylpropyl)thiomorpholine
SMILESCC(C)CC1CSCCN1
InChIInChI=1S/C8H17NS/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3
InChIKeyHVYMDUDIDYTIHS-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-(2-methylpropyl)thiomorpholine?
The IUPAC name of 3-(2-methylpropyl)thiomorpholine (CID 105431373) is 3-(2-methylpropyl)thiomorpholine.
What is the SMILES notation for 3-(2-methylpropyl)thiomorpholine?
The canonical SMILES for 3-(2-methylpropyl)thiomorpholine is CC(C)CC1CSCCN1.
What is the InChIKey of 3-(2-methylpropyl)thiomorpholine?
The InChIKey is HVYMDUDIDYTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)thiomorpholine?
3-(2-methylpropyl)thiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)thiomorpholine is sourced from PubChem (CID 105431373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).