N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide

C13H18N2O2S — CID 107037305

IUPACN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccccc1S
InChIInChI=1S/C13H18N2O2S/c1-9(12(16)14-2)8-15(3)13(17)10-6-4-5-7-11(10)18/h4-7,9,18H,8H2,1-3H3,(H,14,16)
InChIKeyLMSYGTKWOTYABE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide

N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide (PubChem CID 107037305) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
PubChem CID107037305
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccccc1S
InChIInChI=1S/C13H18N2O2S/c1-9(12(16)14-2)8-15(3)13(17)10-6-4-5-7-11(10)18/h4-7,9,18H,8H2,1-3H3,(H,14,16)
InChIKeyLMSYGTKWOTYABE-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
CID 107028256
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 103737148
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 103790374
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
CID 103932710

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide?
The IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide (CID 107037305) is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide is CNC(=O)C(C)CN(C)C(=O)c1ccccc1S.
What is the InChIKey of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide?
The InChIKey is LMSYGTKWOTYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(12(16)14-2)8-15(3)13(17)10-6-4-5-7-11(10)18/h4-7,9,18H,8H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide?
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide has a molecular weight of 266.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide is sourced from PubChem (CID 107037305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).