5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide

C12H15ClN2O2S3 — CID 61439859

IUPAC5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H15ClN2O2S3/c1-15(8-10-2-4-11(13)18-10)20(16,17)12-5-3-9(19-12)6-7-14/h2-5H,6-8,14H2,1H3
InChIKeyFAKZICCXHIVIBE-UHFFFAOYSA-N
MW350.92 g/mol
LogP2.78
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61439859) has the molecular formula C12H15ClN2O2S3 and a molecular weight of 350.92 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61439859
Molecular FormulaC12H15ClN2O2S3
Molecular Weight350.92 g/mol
Exact Mass350.00
IUPAC Name5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H15ClN2O2S3/c1-15(8-10-2-4-11(13)18-10)20(16,17)12-5-3-9(19-12)6-7-14/h2-5H,6-8,14H2,1H3
InChIKeyFAKZICCXHIVIBE-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
5-(2-aminoethyl)-N-butyl-N-methylthiophene-2-sulfonamide
CID 43520862
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673
5-(2-aminoethyl)-N-methyl-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114237748
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 61125776
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 61439859) is 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is FAKZICCXHIVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S3/c1-15(8-10-2-4-11(13)18-10)20(16,17)12-5-3-9(19-12)6-7-14/h2-5H,6-8,14H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 350.92 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61439859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).