3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide

C11H17N3OS — CID 112656301

IUPAC3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C11H17N3OS/c1-14(3-4-16-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4,12-13H2,1-2H3
InChIKeyXDUWYTZGMOTBBN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.29
Rot. Bonds4

About 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide

3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112656301) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112656301
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C11H17N3OS/c1-14(3-4-16-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4,12-13H2,1-2H3
InChIKeyXDUWYTZGMOTBBN-UHFFFAOYSA-N
XLogP1.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112656301) is 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is XDUWYTZGMOTBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14(3-4-16-2)11(15)8-5-9(12)7-10(13)6-8/h5-7H,3-4,12-13H2,1-2H3.
What are the key properties of 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 239.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112656301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).