N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide

C13H20N2OS — CID 115183696

IUPACN-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2sccc2C)CCC1
InChIInChI=1S/C13H20N2OS/c1-10-5-8-17-11(10)15(3)12(16)13(9-14-2)6-4-7-13/h5,8,14H,4,6-7,9H2,1-3H3
InChIKeyWUFILEADSZAOEL-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide

N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide (PubChem CID 115183696) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
PubChem CID115183696
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2sccc2C)CCC1
InChIInChI=1S/C13H20N2OS/c1-10-5-8-17-11(10)15(3)12(16)13(9-14-2)6-4-7-13/h5,8,14H,4,6-7,9H2,1-3H3
InChIKeyWUFILEADSZAOEL-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
N-methyl-1-(methylaminomethyl)-N-(2,3,4-trimethylphenyl)cyclopropane-1-carboxamide
CID 115182984
N-methyl-4-(methylamino)-N-(3-methylthiophen-2-yl)butanamide
CID 115155685
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophene-2-carboxamide
CID 115272118
N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
N-ethyl-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183652
N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182941
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide (CID 115183696) is N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide is CNCC1(C(=O)N(C)c2sccc2C)CCC1.
What is the InChIKey of N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide?
The InChIKey is WUFILEADSZAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-5-8-17-11(10)15(3)12(16)13(9-14-2)6-4-7-13/h5,8,14H,4,6-7,9H2,1-3H3.
What are the key properties of N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide?
N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).