N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide

C11H16N2OS — CID 115159059

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CNC1
InChIInChI=1S/C11H16N2OS/c1-8-3-5-15-10(8)2-4-13-11(14)9-6-12-7-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyVQYNAZLTDGXAOW-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.93
Rot. Bonds4

About N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide

N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide (PubChem CID 115159059) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
PubChem CID115159059
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CNC1
InChIInChI=1S/C11H16N2OS/c1-8-3-5-15-10(8)2-4-13-11(14)9-6-12-7-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyVQYNAZLTDGXAOW-UHFFFAOYSA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
methyl 2-[2-(3-methylthiophen-2-yl)ethylamino]-2-oxoacetate
CID 115142589
2-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115152050
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356
1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122008877
(E)-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177301
4-[2-(3-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 122008876
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
CID 72837122
3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide (CID 115159059) is N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide is Cc1ccsc1CCNC(=O)C1CNC1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is VQYNAZLTDGXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-3-5-15-10(8)2-4-13-11(14)9-6-12-7-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide?
N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).