N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide

C13H17ClN2OS — CID 113412029

IUPACN-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2(N)CCC2)c1
InChIInChI=1S/C13H17ClN2OS/c1-18-9-3-4-11(14)10(7-9)12(17)16-8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyFAMAXSOVESCFPA-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.67
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide

N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide (PubChem CID 113412029) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
PubChem CID113412029
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC2(N)CCC2)c1
InChIInChI=1S/C13H17ClN2OS/c1-18-9-3-4-11(14)10(7-9)12(17)16-8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyFAMAXSOVESCFPA-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide (CID 113412029) is N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCC2(N)CCC2)c1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is FAMAXSOVESCFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-18-9-3-4-11(14)10(7-9)12(17)16-8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide?
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 284.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 113412029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).