2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide

C11H22N2OS — CID 115739037

IUPAC2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
SMILESCSC(C)CCNC(=O)CC1(N)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)4-7-13-10(14)8-11(12)5-3-6-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMSSFGGJAZKKRQA-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.52
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide

2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide (PubChem CID 115739037) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
PubChem CID115739037
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
SMILESCSC(C)CCNC(=O)CC1(N)CCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)4-7-13-10(14)8-11(12)5-3-6-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMSSFGGJAZKKRQA-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
CID 79853883
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
2-(1-aminocyclopentyl)-N-(2-methylsulfanylethyl)acetamide
CID 64679274
2-(1-aminocyclopentyl)-N-(5-methylhexyl)acetamide
CID 113287459
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
2-(1-aminocyclopentyl)-N-(7-methyloctyl)acetamide
CID 64677183
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738452
2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232
3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
CID 79853865
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
3-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64684460

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide (CID 115739037) is 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide is CSC(C)CCNC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide?
The InChIKey is MSSFGGJAZKKRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(15-2)4-7-13-10(14)8-11(12)5-3-6-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide?
2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide has a molecular weight of 230.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide is sourced from PubChem (CID 115739037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).