2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride

C19H31Cl2N3OS — CID 154891797

IUPAC2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3OS.2ClH/c1-19(20,15-16-5-3-2-4-6-16)18(23)22-9-7-17(8-10-22)21-11-13-24-14-12-21;;/h2-6,17H,7-15,20H2,1H3;2*1H
InChIKeyUQZQUBNKDBVHPU-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride

2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride (PubChem CID 154891797) has the molecular formula C19H31Cl2N3OS and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
PubChem CID154891797
Molecular FormulaC19H31Cl2N3OS
Molecular Weight420.45 g/mol
Exact Mass419.16
IUPAC Name2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
SMILESCC(N)(Cc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1.Cl.Cl
InChIInChI=1S/C19H29N3OS.2ClH/c1-19(20,15-16-5-3-2-4-6-16)18(23)22-9-7-17(8-10-22)21-11-13-24-14-12-21;;/h2-6,17H,7-15,20H2,1H3;2*1H
InChIKeyUQZQUBNKDBVHPU-UHFFFAOYSA-N
XLogP2.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride (CID 154891797) is 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride is CC(N)(Cc1ccccc1)C(=O)N1CCC(N2CCSCC2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is UQZQUBNKDBVHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS.2ClH/c1-19(20,15-16-5-3-2-4-6-16)18(23)22-9-7-17(8-10-22)21-11-13-24-14-12-21;;/h2-6,17H,7-15,20H2,1H3;2*1H.
What are the key properties of 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride?
2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 420.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 154891797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).