2-iodo-N-(thiolan-3-ylmethyl)benzamide

C12H14INOS — CID 107296385

IUPAC2-iodo-N-(thiolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCSC1)c1ccccc1I
InChIInChI=1S/C12H14INOS/c13-11-4-2-1-3-10(11)12(15)14-7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyGCRCYPXZIXADRP-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.77
Rot. Bonds3

About 2-iodo-N-(thiolan-3-ylmethyl)benzamide

2-iodo-N-(thiolan-3-ylmethyl)benzamide (PubChem CID 107296385) has the molecular formula C12H14INOS and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-iodo-N-(thiolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(thiolan-3-ylmethyl)benzamide
PubChem CID107296385
Molecular FormulaC12H14INOS
Molecular Weight347.22 g/mol
Exact Mass346.98
IUPAC Name2-iodo-N-(thiolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCSC1)c1ccccc1I
InChIInChI=1S/C12H14INOS/c13-11-4-2-1-3-10(11)12(15)14-7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15)
InChIKeyGCRCYPXZIXADRP-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
5-bromo-2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107303210
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 125139619
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194
2-fluoro-5-sulfanyl-N-(thiolan-3-ylmethyl)benzamide
CID 107298606
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(thiolan-3-ylmethyl)benzamide?
The IUPAC name of 2-iodo-N-(thiolan-3-ylmethyl)benzamide (CID 107296385) is 2-iodo-N-(thiolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-N-(thiolan-3-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-N-(thiolan-3-ylmethyl)benzamide is O=C(NCC1CCSC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(thiolan-3-ylmethyl)benzamide?
The InChIKey is GCRCYPXZIXADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INOS/c13-11-4-2-1-3-10(11)12(15)14-7-9-5-6-16-8-9/h1-4,9H,5-8H2,(H,14,15).
What are the key properties of 2-iodo-N-(thiolan-3-ylmethyl)benzamide?
2-iodo-N-(thiolan-3-ylmethyl)benzamide has a molecular weight of 347.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(thiolan-3-ylmethyl)benzamide is sourced from PubChem (CID 107296385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).