N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

C18H27N3OS — CID 119940858

IUPACN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CC1CSCCN1
InChIInChI=1S/C18H27N3OS/c1-20(18(22)12-16-14-23-11-8-19-16)13-15-6-2-3-7-17(15)21-9-4-5-10-21/h2-3,6-7,16,19H,4-5,8-14H2,1H3
InChIKeyRHWBYSBPWATLFF-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940858) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940858
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CC1CSCCN1
InChIInChI=1S/C18H27N3OS/c1-20(18(22)12-16-14-23-11-8-19-16)13-15-6-2-3-7-17(15)21-9-4-5-10-21/h2-3,6-7,16,19H,4-5,8-14H2,1H3
InChIKeyRHWBYSBPWATLFF-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119936231
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 40954509
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119940858) is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is CN(Cc1ccccc1N1CCCC1)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RHWBYSBPWATLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-20(18(22)12-16-14-23-11-8-19-16)13-15-6-2-3-7-17(15)21-9-4-5-10-21/h2-3,6-7,16,19H,4-5,8-14H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 333.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).