2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride

C18H29Cl2N3O2S — CID 120669899

IUPAC2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2(N3CCOCC3)CCSC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2S.2ClH/c1-14-2-4-15(5-3-14)16(19)17(22)20-12-18(6-11-24-13-18)21-7-9-23-10-8-21;;/h2-5,16H,6-13,19H2,1H3,(H,20,22);2*1H
InChIKeyVVQUJUBVJCOXOC-UHFFFAOYSA-N
MW422.42 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 120669899) has the molecular formula C18H29Cl2N3O2S and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
PubChem CID120669899
Molecular FormulaC18H29Cl2N3O2S
Molecular Weight422.42 g/mol
Exact Mass421.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2(N3CCOCC3)CCSC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2S.2ClH/c1-14-2-4-15(5-3-14)16(19)17(22)20-12-18(6-11-24-13-18)21-7-9-23-10-8-21;;/h2-5,16H,6-13,19H2,1H3,(H,20,22);2*1H
InChIKeyVVQUJUBVJCOXOC-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
2-amino-N-[(1-methylcyclopropyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668819
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 55658501
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-methyl-1-[2-(3-methylphenyl)propyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 111660194

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride (CID 120669899) is 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCC2(N3CCOCC3)CCSC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is VVQUJUBVJCOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.2ClH/c1-14-2-4-15(5-3-14)16(19)17(22)20-12-18(6-11-24-13-18)21-7-9-23-10-8-21;;/h2-5,16H,6-13,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 422.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120669899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).