N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide

C16H23N3OS — CID 66423032

IUPACN-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-3-5-15(6-4-13)19-8-1-2-9-19/h3-6,14,17H,1-2,7-12H2,(H,18,20)
InChIKeyBANPPIJGYGGJHL-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.32
Rot. Bonds4

About N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide

N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66423032) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66423032
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-3-5-15(6-4-13)19-8-1-2-9-19/h3-6,14,17H,1-2,7-12H2,(H,18,20)
InChIKeyBANPPIJGYGGJHL-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935481
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935848
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936357
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
2-thiomorpholin-3-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide;hydrochloride
CID 119937742
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66423032) is N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is BANPPIJGYGGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16(11-14-12-21-10-7-17-14)18-13-3-5-15(6-4-13)19-8-1-2-9-19/h3-6,14,17H,1-2,7-12H2,(H,18,20).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 305.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66423032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).