N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide

C11H15BrN2OS2 — CID 79990343

IUPACN-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrN2OS2/c1-3-4-14(6-9(13)16)11(15)8-5-7(2)10(12)17-8/h5H,3-4,6H2,1-2H3,(H2,13,16)
InChIKeyDKKFIKVBSZMENQ-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.96
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide (PubChem CID 79990343) has the molecular formula C11H15BrN2OS2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
PubChem CID79990343
Molecular FormulaC11H15BrN2OS2
Molecular Weight335.29 g/mol
Exact Mass333.98
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrN2OS2/c1-3-4-14(6-9(13)16)11(15)8-5-7(2)10(12)17-8/h5H,3-4,6H2,1-2H3,(H2,13,16)
InChIKeyDKKFIKVBSZMENQ-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79996781
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 79987712
N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
CID 62338785
4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
N-(2-amino-2-sulfanylideneethyl)-3-chloro-2-methyl-N-propylbenzamide
CID 107096826
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide (CID 79990343) is N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide is CCCN(CC(N)=S)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is DKKFIKVBSZMENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS2/c1-3-4-14(6-9(13)16)11(15)8-5-7(2)10(12)17-8/h5H,3-4,6H2,1-2H3,(H2,13,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).