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

C17H28N2S — CID 62618035

IUPAC2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CN1CCSCC1
InChIInChI=1S/C17H28N2S/c1-3-9-18-17(16-7-5-4-6-8-16)15(2)14-19-10-12-20-13-11-19/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyAHZYSCPEPZPFQL-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.41
Rot. Bonds7

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

2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62618035) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62618035
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CN1CCSCC1
InChIInChI=1S/C17H28N2S/c1-3-9-18-17(16-7-5-4-6-8-16)15(2)14-19-10-12-20-13-11-19/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyAHZYSCPEPZPFQL-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62618035) is 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is CCCNC(c1ccccc1)C(C)CN1CCSCC1.
What is the InChIKey of 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is AHZYSCPEPZPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-9-18-17(16-7-5-4-6-8-16)15(2)14-19-10-12-20-13-11-19/h4-8,15,17-18H,3,9-14H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62618035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).