5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide

C14H21N3OS — CID 106425099

IUPAC5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H21N3OS/c1-4-8-19-9-7-16-14(18)12-10-11(15)5-6-13(12)17(2)3/h4-6,10H,1,7-9,15H2,2-3H3,(H,16,18)
InChIKeyDKCYIXIEUQGALP-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.98
Rot. Bonds7

About 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide

5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide (PubChem CID 106425099) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
PubChem CID106425099
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
SMILESC=CCSCCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H21N3OS/c1-4-8-19-9-7-16-14(18)12-10-11(15)5-6-13(12)17(2)3/h4-6,10H,1,7-9,15H2,2-3H3,(H,16,18)
InChIKeyDKCYIXIEUQGALP-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425136
5-amino-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyridine-3-carboxamide
CID 106425075
5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106242211
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
3-amino-5-fluoro-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425062
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61214440

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide (CID 106425099) is 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide is C=CCSCCNC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
The InChIKey is DKCYIXIEUQGALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-8-19-9-7-16-14(18)12-10-11(15)5-6-13(12)17(2)3/h4-6,10H,1,7-9,15H2,2-3H3,(H,16,18).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide?
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide has a molecular weight of 279.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide is sourced from PubChem (CID 106425099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).