N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide

C15H15BrN2OS — CID 115353856

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S
InChIInChI=1S/C15H15BrN2OS/c1-15(2,14(17)20)18-13(19)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQOVSWAUCBCNHCF-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.40
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide (PubChem CID 115353856) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
PubChem CID115353856
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S
InChIInChI=1S/C15H15BrN2OS/c1-15(2,14(17)20)18-13(19)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQOVSWAUCBCNHCF-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.40
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-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-hydroxybenzamide
CID 61126113
N-[3-(aminomethyl)pentan-3-yl]-6-bromonaphthalene-2-carboxamide
CID 115354227
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81284104
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
3-[(6-bromonaphthalene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 115353673
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide (CID 115353856) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide is CC(C)(NC(=O)c1ccc2cc(Br)ccc2c1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide?
The InChIKey is QOVSWAUCBCNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-15(2,14(17)20)18-13(19)11-4-3-10-8-12(16)6-5-9(10)7-11/h3-8H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 115353856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).