2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide

C14H26N2OS — CID 114123049

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCC(NC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-12-5-3-11(4-6-12)16-13(17)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyHYSICBMBCYSUJD-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.30
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide (PubChem CID 114123049) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
PubChem CID114123049
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCC(NC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-12-5-3-11(4-6-12)16-13(17)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyHYSICBMBCYSUJD-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 81172967
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 104677721
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
ethane;N-(4-methylsulfanylcyclohexyl)propanamide
CID 142541803
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide (CID 114123049) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide is CSC1CCC(NC(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide?
The InChIKey is HYSICBMBCYSUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-12-5-3-11(4-6-12)16-13(17)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.30, 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-(4-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 114123049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).