N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H20ClFN2OS — CID 119939693

IUPACN-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2OS.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)18-14(19)9-13-10-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyWAZINEDYPITGIF-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939693) has the molecular formula C15H20ClFN2OS and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939693
Molecular FormulaC15H20ClFN2OS
Molecular Weight330.86 g/mol
Exact Mass330.10
IUPAC NameN-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2OS.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)18-14(19)9-13-10-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyWAZINEDYPITGIF-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromophenyl)cyclobutyl]-2-thiomorpholin-3-ylacetamide
CID 119937586
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935808
3-fluoro-N-[3-[(2-thiomorpholin-3-ylacetyl)amino]propyl]benzamide
CID 119939089
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939693) is N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is WAZINEDYPITGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)18-14(19)9-13-10-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H.
What are the key properties of N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)cyclopropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).