N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

C14H20ClN3O3S2 — CID 119936053

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O3S2/c15-11-2-1-3-13(8-11)23(20,21)18-5-4-17-14(19)9-12-10-22-7-6-16-12/h1-3,8,12,16,18H,4-7,9-10H2,(H,17,19)
InChIKeyDSQHFPIREPYAIC-UHFFFAOYSA-N
MW377.92 g/mol
LogP0.83
Rot. Bonds7

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936053) has the molecular formula C14H20ClN3O3S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936053
Molecular FormulaC14H20ClN3O3S2
Molecular Weight377.92 g/mol
Exact Mass377.06
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O3S2/c15-11-2-1-3-13(8-11)23(20,21)18-5-4-17-14(19)9-12-10-22-7-6-16-12/h1-3,8,12,16,18H,4-7,9-10H2,(H,17,19)
InChIKeyDSQHFPIREPYAIC-UHFFFAOYSA-N
XLogP0.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939474
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[4-(propylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936668
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119936053) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DSQHFPIREPYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S2/c15-11-2-1-3-13(8-11)23(20,21)18-5-4-17-14(19)9-12-10-22-7-6-16-12/h1-3,8,12,16,18H,4-7,9-10H2,(H,17,19).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 377.92 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).