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

C15H22ClN3O3S — CID 119940344

IUPACN-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCC(NC(=O)CC1CSCCN1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-2-14(11-4-3-5-13(8-11)18(20)21)17-15(19)9-12-10-22-7-6-16-12;/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyYEOPWDXOVJJEJK-UHFFFAOYSA-N
MW359.88 g/mol
LogP2.68
Rot. Bonds6

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

N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940344) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940344
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCC(NC(=O)CC1CSCCN1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-2-14(11-4-3-5-13(8-11)18(20)21)17-15(19)9-12-10-22-7-6-16-12;/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyYEOPWDXOVJJEJK-UHFFFAOYSA-N
XLogP2.68
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937483
N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719663
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940482
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119935715
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940344) is N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCC(NC(=O)CC1CSCCN1)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is YEOPWDXOVJJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-2-14(11-4-3-5-13(8-11)18(20)21)17-15(19)9-12-10-22-7-6-16-12;/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3,(H,17,19);1H.
What are the key properties of N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).