N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide

C15H21ClN2OS — CID 66421232

IUPACN-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2OS/c1-2-14(11-3-5-12(16)6-4-11)18-15(19)9-13-10-20-8-7-17-13/h3-6,13-14,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyFCRVEVZQCSNSLL-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide

N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66421232) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66421232
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2OS/c1-2-14(11-3-5-12(16)6-4-11)18-15(19)9-13-10-20-8-7-17-13/h3-6,13-14,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyFCRVEVZQCSNSLL-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937483
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119935715
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
CID 119935714
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide (CID 66421232) is N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide is CCC(NC(=O)CC1CSCCN1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is FCRVEVZQCSNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-2-14(11-3-5-12(16)6-4-11)18-15(19)9-13-10-20-8-7-17-13/h3-6,13-14,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 312.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).