2-amino-6-chloro-N-(thiolan-3-yl)benzamide

C11H13ClN2OS — CID 103062170

IUPAC2-amino-6-chloro-N-(thiolan-3-yl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCSC1
InChIInChI=1S/C11H13ClN2OS/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-16-6-7/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyLFRYQLGLICDKGT-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.16
Rot. Bonds2

About 2-amino-6-chloro-N-(thiolan-3-yl)benzamide

2-amino-6-chloro-N-(thiolan-3-yl)benzamide (PubChem CID 103062170) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(thiolan-3-yl)benzamide
PubChem CID103062170
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name2-amino-6-chloro-N-(thiolan-3-yl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCSC1
InChIInChI=1S/C11H13ClN2OS/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-16-6-7/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyLFRYQLGLICDKGT-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
6-amino-3-chloro-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064660
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
CID 113239287
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
2-chloro-6-(thiolan-3-ylamino)benzenecarbothioamide
CID 103063232
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211457
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(thiolan-3-yl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(thiolan-3-yl)benzamide (CID 103062170) is 2-amino-6-chloro-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(thiolan-3-yl)benzamide is Nc1cccc(Cl)c1C(=O)NC1CCSC1.
What is the InChIKey of 2-amino-6-chloro-N-(thiolan-3-yl)benzamide?
The InChIKey is LFRYQLGLICDKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-8-2-1-3-9(13)10(8)11(15)14-7-4-5-16-6-7/h1-3,7H,4-6,13H2,(H,14,15).
What are the key properties of 2-amino-6-chloro-N-(thiolan-3-yl)benzamide?
2-amino-6-chloro-N-(thiolan-3-yl)benzamide has a molecular weight of 256.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103062170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).