N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide

C13H14ClN3OS — CID 66420640

IUPACN-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
SMILESN#Cc1cc(NC(=O)CC2CSCCN2)ccc1Cl
InChIInChI=1S/C13H14ClN3OS/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-19-4-3-16-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18)
InChIKeyLTNAEHVZUUFNMX-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.25
Rot. Bonds3

About N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide

N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420640) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420640
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
SMILESN#Cc1cc(NC(=O)CC2CSCCN2)ccc1Cl
InChIInChI=1S/C13H14ClN3OS/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-19-4-3-16-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18)
InChIKeyLTNAEHVZUUFNMX-UHFFFAOYSA-N
XLogP2.25
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936388
N-(4-bromo-2-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 82708529
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66420250
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide (CID 66420640) is N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide is N#Cc1cc(NC(=O)CC2CSCCN2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is LTNAEHVZUUFNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-19-4-3-16-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 295.80 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).