N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H25ClN2O2S — CID 119938079

IUPACN-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C17H24N2O2S.ClH/c20-16(11-14-12-22-10-8-18-14)19-17(15-7-4-9-21-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15,17-18H,4,7-12H2,(H,19,20);1H
InChIKeyNIWRADXHDFDGPC-UHFFFAOYSA-N
MW356.92 g/mol
LogP2.54
Rot. Bonds5

About N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938079) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938079
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC NameN-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C17H24N2O2S.ClH/c20-16(11-14-12-22-10-8-18-14)19-17(15-7-4-9-21-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15,17-18H,4,7-12H2,(H,19,20);1H
InChIKeyNIWRADXHDFDGPC-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938079) is N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC(c1ccccc1)C1CCCO1.
What is the InChIKey of N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NIWRADXHDFDGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S.ClH/c20-16(11-14-12-22-10-8-18-14)19-17(15-7-4-9-21-15)13-5-2-1-3-6-13;/h1-3,5-6,14-15,17-18H,4,7-12H2,(H,19,20);1H.
What are the key properties of N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).