2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide

C13H17ClN2OS — CID 107131863

IUPAC2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCC2CCSC2)ccc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-15-13(17)11-6-10(2-3-12(11)14)16-7-9-4-5-18-8-9/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyFWGWQJCYPPGROI-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide

2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide (PubChem CID 107131863) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
PubChem CID107131863
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCC2CCSC2)ccc1Cl
InChIInChI=1S/C13H17ClN2OS/c1-15-13(17)11-6-10(2-3-12(11)14)16-7-9-4-5-18-8-9/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyFWGWQJCYPPGROI-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131586
N-methyl-3-(thiolan-3-ylmethylamino)benzamide
CID 107131272
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
4-chloro-3-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107268141
4-(thiolan-3-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 107298324
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640
methyl 3-(thiolan-3-ylmethylamino)benzoate
CID 107131380
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
3-bromo-4-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107132181

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide (CID 107131863) is 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide is CNC(=O)c1cc(NCC2CCSC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide?
The InChIKey is FWGWQJCYPPGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-15-13(17)11-6-10(2-3-12(11)14)16-7-9-4-5-18-8-9/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide?
2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide has a molecular weight of 284.81 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide is sourced from PubChem (CID 107131863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).