N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide

C12H24N2OS — CID 66422213

IUPACN-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H24N2OS/c1-4-11(5-2)14(3)12(15)8-10-9-16-7-6-13-10/h10-11,13H,4-9H2,1-3H3
InChIKeyKVXYMLBQPXRFHN-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide

N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422213) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
PubChem CID66422213
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C12H24N2OS/c1-4-11(5-2)14(3)12(15)8-10-9-16-7-6-13-10/h10-11,13H,4-9H2,1-3H3
InChIKeyKVXYMLBQPXRFHN-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420866
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66419942
N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938342
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide (CID 66422213) is N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide is CCC(CC)N(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide?
The InChIKey is KVXYMLBQPXRFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-11(5-2)14(3)12(15)8-10-9-16-7-6-13-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide?
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).