2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine

C11H24N2S — CID 62419816

IUPAC2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyMCCSZAJHEMKPGQ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds5

About 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine

2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419816) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419816
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyMCCSZAJHEMKPGQ-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine (CID 62419816) is 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine is CC(CNC(C)C)CN1CCSCC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is MCCSZAJHEMKPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10(2)12-8-11(3)9-13-4-6-14-7-5-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine?
2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).