2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C12H19N3OS — CID 66186907

IUPAC2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CNC1
InChIInChI=1S/C12H19N3OS/c1-14(11-5-13-6-11)8-12(16)15(2)7-10-3-4-17-9-10/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyLRRUSXFJLBJIET-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.61
Rot. Bonds5

About 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66186907) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66186907
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CNC1
InChIInChI=1S/C12H19N3OS/c1-14(11-5-13-6-11)8-12(16)15(2)7-10-3-4-17-9-10/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyLRRUSXFJLBJIET-UHFFFAOYSA-N
XLogP0.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 104979626
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 79121413
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102681794
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 106614772
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 66186907) is 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LRRUSXFJLBJIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(11-5-13-6-11)8-12(16)15(2)7-10-3-4-17-9-10/h3-4,9,11,13H,5-8H2,1-2H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66186907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).