2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide

C14H20N2OS — CID 81179881

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H20N2OS/c1-18-12-6-3-2-5-11(12)16-13(17)9-14(10-15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17)
InChIKeyRXMQTILLWNNCHJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.87
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 81179881) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID81179881
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H20N2OS/c1-18-12-6-3-2-5-11(12)16-13(17)9-14(10-15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17)
InChIKeyRXMQTILLWNNCHJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 81179451
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
[1-[(2-methylsulfanylphenyl)methyl]cyclobutyl]methanamine
CID 176776892

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide (CID 81179881) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is RXMQTILLWNNCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-12-6-3-2-5-11(12)16-13(17)9-14(10-15)7-4-8-14/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 81179881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).