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

C18H27N3OS — CID 119940864

IUPACN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H27N3OS/c22-18(11-17-14-23-10-7-19-17)20-12-15-5-1-2-6-16(15)13-21-8-3-4-9-21/h1-2,5-6,17,19H,3-4,7-14H2,(H,20,22)
InChIKeyGUIIQPQJRTTZNM-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.99
Rot. Bonds6

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

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940864) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940864
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H27N3OS/c22-18(11-17-14-23-10-7-19-17)20-12-15-5-1-2-6-16(15)13-21-8-3-4-9-21/h1-2,5-6,17,19H,3-4,7-14H2,(H,20,22)
InChIKeyGUIIQPQJRTTZNM-UHFFFAOYSA-N
XLogP1.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941144
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119940864) is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1ccccc1CN1CCCC1.
What is the InChIKey of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is GUIIQPQJRTTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c22-18(11-17-14-23-10-7-19-17)20-12-15-5-1-2-6-16(15)13-21-8-3-4-9-21/h1-2,5-6,17,19H,3-4,7-14H2,(H,20,22).
What are the key properties of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 333.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).