2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine

C16H26N2S — CID 62417521

IUPAC2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)NCC(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H26N2S/c1-16(2,3)17-13-15(14-7-5-4-6-8-14)18-9-11-19-12-10-18/h4-8,15,17H,9-13H2,1-3H3
InChIKeyILWBIDCITHHKTM-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.16
Rot. Bonds4

About 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine

2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine (PubChem CID 62417521) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
PubChem CID62417521
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)NCC(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H26N2S/c1-16(2,3)17-13-15(14-7-5-4-6-8-14)18-9-11-19-12-10-18/h4-8,15,17H,9-13H2,1-3H3
InChIKeyILWBIDCITHHKTM-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-phenyl-2-(1,4-thiazepan-4-yl)ethyl]propan-1-amine
CID 62412057
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
CID 55117730
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine (CID 62417521) is 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine is CC(C)(C)NCC(c1ccccc1)N1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine?
The InChIKey is ILWBIDCITHHKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-16(2,3)17-13-15(14-7-5-4-6-8-14)18-9-11-19-12-10-18/h4-8,15,17H,9-13H2,1-3H3.
What are the key properties of 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine?
2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenyl-2-thiomorpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 62417521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).