2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

C13H21N3OS — CID 66183457

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCN(CC(=O)NC(C)c1cccs1)C1CNC1
InChIInChI=1S/C13H21N3OS/c1-3-16(11-7-14-8-11)9-13(17)15-10(2)12-5-4-6-18-12/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyKKPLCBSSHCQKEC-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.22
Rot. Bonds6

About 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 66183457) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID66183457
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCN(CC(=O)NC(C)c1cccs1)C1CNC1
InChIInChI=1S/C13H21N3OS/c1-3-16(11-7-14-8-11)9-13(17)15-10(2)12-5-4-6-18-12/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyKKPLCBSSHCQKEC-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 63304562
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408188
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 66183457) is 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is CCN(CC(=O)NC(C)c1cccs1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is KKPLCBSSHCQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-16(11-7-14-8-11)9-13(17)15-10(2)12-5-4-6-18-12/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 66183457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).