N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C12H25N3OS — CID 66422503

IUPACN-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(C)CCCN(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H25N3OS/c1-14(2)6-4-7-15(3)12(16)9-11-10-17-8-5-13-11/h11,13H,4-10H2,1-3H3
InChIKeyPODOCERIWWSCBU-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.49
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422503) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422503
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(C)CCCN(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H25N3OS/c1-14(2)6-4-7-15(3)12(16)9-11-10-17-8-5-13-11/h11,13H,4-10H2,1-3H3
InChIKeyPODOCERIWWSCBU-UHFFFAOYSA-N
XLogP0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66419942
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938140

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66422503) is N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CN(C)CCCN(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is PODOCERIWWSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-14(2)6-4-7-15(3)12(16)9-11-10-17-8-5-13-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 259.42 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).