N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide

C9H11BrN2OS2 — CID 62666717

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)C(N)=S
InChIInChI=1S/C9H11BrN2OS2/c1-5(8(11)14)4-12-9(13)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyFJXZGHROYYYIBM-UHFFFAOYSA-N
MW307.24 g/mol
LogP2.16
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide (PubChem CID 62666717) has the molecular formula C9H11BrN2OS2 and a molecular weight of 307.24 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
PubChem CID62666717
Molecular FormulaC9H11BrN2OS2
Molecular Weight307.24 g/mol
Exact Mass305.95
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)C(N)=S
InChIInChI=1S/C9H11BrN2OS2/c1-5(8(11)14)4-12-9(13)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyFJXZGHROYYYIBM-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
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-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide (CID 62666717) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide is CC(CNC(=O)c1ccc(Br)s1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide?
The InChIKey is FJXZGHROYYYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS2/c1-5(8(11)14)4-12-9(13)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide has a molecular weight of 307.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 62666717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).