2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

C11H24N2S — CID 62419636

IUPAC2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h11-12H,3-10H2,1-2H3
InChIKeyYVVIDSVFZAZZTC-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds6

About 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419636) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419636
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)CN1CCSCC1
InChIInChI=1S/C11H24N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h11-12H,3-10H2,1-2H3
InChIKeyYVVIDSVFZAZZTC-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62419636) is 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is CCCNCC(C)CN1CCSCC1.
What is the InChIKey of 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is YVVIDSVFZAZZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-4-12-9-11(2)10-13-5-7-14-8-6-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).