N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide

C13H24N2O2S — CID 83136380

IUPACN-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
SMILESCN(CC1CNCCO1)C(=O)CC1CCSCC1
InChIInChI=1S/C13H24N2O2S/c1-15(10-12-9-14-4-5-17-12)13(16)8-11-2-6-18-7-3-11/h11-12,14H,2-10H2,1H3
InChIKeyXACYTGIYCOFWFZ-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide

N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide (PubChem CID 83136380) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
PubChem CID83136380
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
SMILESCN(CC1CNCCO1)C(=O)CC1CCSCC1
InChIInChI=1S/C13H24N2O2S/c1-15(10-12-9-14-4-5-17-12)13(16)8-11-2-6-18-7-3-11/h11-12,14H,2-10H2,1H3
InChIKeyXACYTGIYCOFWFZ-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119704440
N-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-4-ylacetamide
CID 61435803
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538
2-(1-methoxycyclobutyl)-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103557364
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 79314743
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
CID 83137303
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
N-(cyclopropylmethyl)-N-ethyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119784637
N-(2-methoxyethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119707199
N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide
CID 104520821

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide (CID 83136380) is N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide is CN(CC1CNCCO1)C(=O)CC1CCSCC1.
What is the InChIKey of N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide?
The InChIKey is XACYTGIYCOFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-15(10-12-9-14-4-5-17-12)13(16)8-11-2-6-18-7-3-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide?
N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide has a molecular weight of 272.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).