N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide

C15H15BrN2OS — CID 115353870

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
SMILESCC(CNC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S
InChIInChI=1S/C15H15BrN2OS/c1-9(14(17)20)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19)
InChIKeyCNLVTFNWTOBYIU-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.25
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide (PubChem CID 115353870) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
PubChem CID115353870
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
SMILESCC(CNC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S
InChIInChI=1S/C15H15BrN2OS/c1-9(14(17)20)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19)
InChIKeyCNLVTFNWTOBYIU-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide (CID 115353870) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide is CC(CNC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide?
The InChIKey is CNLVTFNWTOBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9(14(17)20)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 115353870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).