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

C16H26N2S — CID 62618034

IUPACN-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCSCC1
InChIInChI=1S/C16H26N2S/c1-3-17-16(15-7-5-4-6-8-15)14(2)13-18-9-11-19-12-10-18/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyRVQUMXDIMQCLHY-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.02
Rot. Bonds6

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

N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62618034) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62618034
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)CN1CCSCC1
InChIInChI=1S/C16H26N2S/c1-3-17-16(15-7-5-4-6-8-15)14(2)13-18-9-11-19-12-10-18/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyRVQUMXDIMQCLHY-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618035
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
1-[3-(ethylamino)-2-methyl-3-phenylpropyl]piperidin-3-ol
CID 62619132
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62618034) is N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine is CCNC(c1ccccc1)C(C)CN1CCSCC1.
What is the InChIKey of N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is RVQUMXDIMQCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-17-16(15-7-5-4-6-8-15)14(2)13-18-9-11-19-12-10-18/h4-8,14,16-17H,3,9-13H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine?
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62618034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).