N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C13H21NS2 — CID 107269867

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCSC1(CNC(C)c2sccc2C)CCC1
InChIInChI=1S/C13H21NS2/c1-10-5-8-16-12(10)11(2)14-9-13(15-3)6-4-7-13/h5,8,11,14H,4,6-7,9H2,1-3H3
InChIKeySVGSNAHPLSKQCG-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.99
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 107269867) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID107269867
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCSC1(CNC(C)c2sccc2C)CCC1
InChIInChI=1S/C13H21NS2/c1-10-5-8-16-12(10)11(2)14-9-13(15-3)6-4-7-13/h5,8,11,14H,4,6-7,9H2,1-3H3
InChIKeySVGSNAHPLSKQCG-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 107269867) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is CSC1(CNC(C)c2sccc2C)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is SVGSNAHPLSKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-10-5-8-16-12(10)11(2)14-9-13(15-3)6-4-7-13/h5,8,11,14H,4,6-7,9H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 107269867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).