N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide

C12H16N2OS — CID 79218052

IUPACN-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)C2CNC2)cc1
InChIInChI=1S/C12H16N2OS/c1-14(10-7-13-8-10)12(15)9-3-5-11(16-2)6-4-9/h3-6,10,13H,7-8H2,1-2H3
InChIKeyPOGIZWGYHDWDJG-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.45
Rot. Bonds3

About N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide

N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 79218052) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID79218052
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)C2CNC2)cc1
InChIInChI=1S/C12H16N2OS/c1-14(10-7-13-8-10)12(15)9-3-5-11(16-2)6-4-9/h3-6,10,13H,7-8H2,1-2H3
InChIKeyPOGIZWGYHDWDJG-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-4-iodo-N-methylbenzamide
CID 66186385
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
CID 66185464
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
CID 162705866
4-N-(2-aminopyrimidin-5-yl)-1-N-(azetidin-3-yl)-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 162705853
N-(2-amino-2-oxoethyl)-4-methylsulfanyl-N-piperidin-4-ylbenzamide
CID 79213778

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide (CID 79218052) is N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)C2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is POGIZWGYHDWDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14(10-7-13-8-10)12(15)9-3-5-11(16-2)6-4-9/h3-6,10,13H,7-8H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide?
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 236.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 79218052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).