3-iodo-N-methyl-N-(thiolan-3-yl)benzamide

C12H14INOS — CID 55137571

IUPAC3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(I)c1)C1CCSC1
InChIInChI=1S/C12H14INOS/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyDDMNVYBVIUABBS-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.87
Rot. Bonds2

About 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide

3-iodo-N-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 55137571) has the molecular formula C12H14INOS and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
PubChem CID55137571
Molecular FormulaC12H14INOS
Molecular Weight347.22 g/mol
Exact Mass346.98
IUPAC Name3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(I)c1)C1CCSC1
InChIInChI=1S/C12H14INOS/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyDDMNVYBVIUABBS-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
CID 63212671
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
CID 43582046
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848
3-[[[methyl(thiolan-3-yl)carbamoyl]amino]methyl]benzoic acid
CID 61198361
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide (CID 55137571) is 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide is CN(C(=O)c1cccc(I)c1)C1CCSC1.
What is the InChIKey of 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is DDMNVYBVIUABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INOS/c1-14(11-5-6-16-8-11)12(15)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide?
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 347.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 55137571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).