N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide

C15H22N2OS — CID 107267189

IUPACN-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
SMILESCSC1(CNCc2ccc(NC(C)=O)cc2)CCC1
InChIInChI=1S/C15H22N2OS/c1-12(18)17-14-6-4-13(5-7-14)10-16-11-15(19-2)8-3-9-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyCFCYCDZORKJVSE-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.02
Rot. Bonds6

About N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide

N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide (PubChem CID 107267189) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
PubChem CID107267189
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
SMILESCSC1(CNCc2ccc(NC(C)=O)cc2)CCC1
InChIInChI=1S/C15H22N2OS/c1-12(18)17-14-6-4-13(5-7-14)10-16-11-15(19-2)8-3-9-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyCFCYCDZORKJVSE-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide (CID 107267189) is N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide is CSC1(CNCc2ccc(NC(C)=O)cc2)CCC1.
What is the InChIKey of N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is CFCYCDZORKJVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(18)17-14-6-4-13(5-7-14)10-16-11-15(19-2)8-3-9-15/h4-7,16H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 107267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).