2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride

C16H27Cl2N3OS — CID 119870046

IUPAC2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C16H25N3OS.2ClH/c1-12-13(11-19-7-9-21-10-8-19)5-4-6-14(12)18-15(20)16(2,3)17;;/h4-6H,7-11,17H2,1-3H3,(H,18,20);2*1H
InChIKeyHJTPHUFNXKWQNT-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride

2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride (PubChem CID 119870046) has the molecular formula C16H27Cl2N3OS and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
PubChem CID119870046
Molecular FormulaC16H27Cl2N3OS
Molecular Weight380.39 g/mol
Exact Mass379.13
IUPAC Name2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
SMILESCc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C16H25N3OS.2ClH/c1-12-13(11-19-7-9-21-10-8-19)5-4-6-14(12)18-15(20)16(2,3)17;;/h4-6H,7-11,17H2,1-3H3,(H,18,20);2*1H
InChIKeyHJTPHUFNXKWQNT-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 60604722
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
4-[[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]methyl]benzoic acid
CID 122029757
2-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119870055
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
1-tert-butyl-5-cyclopropyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 49008360

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride (CID 119870046) is 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride is Cc1c(CN2CCSCC2)cccc1NC(=O)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride?
The InChIKey is HJTPHUFNXKWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.2ClH/c1-12-13(11-19-7-9-21-10-8-19)5-4-6-14(12)18-15(20)16(2,3)17;;/h4-6H,7-11,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride has a molecular weight of 380.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119870046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).