N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide

C11H13IN2O2S — CID 107731519

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
SMILESCCC(NC(=O)c1cc(I)ccc1O)C(N)=S
InChIInChI=1S/C11H13IN2O2S/c1-2-8(10(13)17)14-11(16)7-5-6(12)3-4-9(7)15/h3-5,8,15H,2H2,1H3,(H2,13,17)(H,14,16)
InChIKeyMINBBICREWPIIC-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.79
Rot. Bonds4

About N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731519) has the molecular formula C11H13IN2O2S and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
PubChem CID107731519
Molecular FormulaC11H13IN2O2S
Molecular Weight364.21 g/mol
Exact Mass363.97
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
SMILESCCC(NC(=O)c1cc(I)ccc1O)C(N)=S
InChIInChI=1S/C11H13IN2O2S/c1-2-8(10(13)17)14-11(16)7-5-6(12)3-4-9(7)15/h3-5,8,15H,2H2,1H3,(H2,13,17)(H,14,16)
InChIKeyMINBBICREWPIIC-UHFFFAOYSA-N
XLogP1.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-sulfanylidenebutan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82829704
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579022
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,4-dimethylbenzamide
CID 61120496
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide (CID 107731519) is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide is CCC(NC(=O)c1cc(I)ccc1O)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide?
The InChIKey is MINBBICREWPIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2S/c1-2-8(10(13)17)14-11(16)7-5-6(12)3-4-9(7)15/h3-5,8,15H,2H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide has a molecular weight of 364.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).