5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide

C14H20N2OS — CID 80586242

IUPAC5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H20N2OS/c1-10-5-6-13(15-2)12(8-10)14(17)16-9-11-4-3-7-18-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyHONYVCHPJMMGMG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.66
Rot. Bonds4

About 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide

5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80586242) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80586242
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H20N2OS/c1-10-5-6-13(15-2)12(8-10)14(17)16-9-11-4-3-7-18-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyHONYVCHPJMMGMG-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586098
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80583509
N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62510212
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
5-methyl-2-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114109568
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide (CID 80586242) is 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide is CNc1ccc(C)cc1C(=O)NCC1CCCS1.
What is the InChIKey of 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is HONYVCHPJMMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-5-6-13(15-2)12(8-10)14(17)16-9-11-4-3-7-18-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide?
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80586242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).