N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H27ClN2OS — CID 119939067

IUPACN-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)CC1CSCCN1)C(C)C.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-12(2)17(15-7-5-4-6-13(15)3)19-16(20)10-14-11-21-9-8-18-14;/h4-7,12,14,17-18H,8-11H2,1-3H3,(H,19,20);1H
InChIKeyWWNZPDLXNSNVPI-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.33
Rot. Bonds5

About N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939067) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939067
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)CC1CSCCN1)C(C)C.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-12(2)17(15-7-5-4-6-13(15)3)19-16(20)10-14-11-21-9-8-18-14;/h4-7,12,14,17-18H,8-11H2,1-3H3,(H,19,20);1H
InChIKeyWWNZPDLXNSNVPI-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941326
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119935760
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119940274
N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937796

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939067) is N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccccc1C(NC(=O)CC1CSCCN1)C(C)C.Cl.
What is the InChIKey of N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is WWNZPDLXNSNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-12(2)17(15-7-5-4-6-13(15)3)19-16(20)10-14-11-21-9-8-18-14;/h4-7,12,14,17-18H,8-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).