N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide

C15H23N3OS — CID 66421266

IUPACN-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)N(Cc1cccnc1)C(=O)CC1CSCCN1
InChIInChI=1S/C15H23N3OS/c1-12(2)18(10-13-4-3-5-16-9-13)15(19)8-14-11-20-7-6-17-14/h3-5,9,12,14,17H,6-8,10-11H2,1-2H3
InChIKeyVPCYQJTYIHIVDA-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds5

About N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide

N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421266) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421266
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)N(Cc1cccnc1)C(=O)CC1CSCCN1
InChIInChI=1S/C15H23N3OS/c1-12(2)18(10-13-4-3-5-16-9-13)15(19)8-14-11-20-7-6-17-14/h3-5,9,12,14,17H,6-8,10-11H2,1-2H3
InChIKeyVPCYQJTYIHIVDA-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
CID 119937394
N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide (CID 66421266) is N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide is CC(C)N(Cc1cccnc1)C(=O)CC1CSCCN1.
What is the InChIKey of N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is VPCYQJTYIHIVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12(2)18(10-13-4-3-5-16-9-13)15(19)8-14-11-20-7-6-17-14/h3-5,9,12,14,17H,6-8,10-11H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide?
N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 293.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).