2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine

C12H26N2S — CID 62419819

IUPAC2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)CNCC(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)8-13-9-12(3)10-14-4-6-15-7-5-14/h11-13H,4-10H2,1-3H3
InChIKeyBPVXPBREGIKHKL-UHFFFAOYSA-N
MW230.42 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine

2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419819) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419819
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)CNCC(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-11(2)8-13-9-12(3)10-14-4-6-15-7-5-14/h11-13H,4-10H2,1-3H3
InChIKeyBPVXPBREGIKHKL-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine (CID 62419819) is 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine is CC(C)CNCC(C)CN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is BPVXPBREGIKHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-11(2)8-13-9-12(3)10-14-4-6-15-7-5-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine?
2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).