5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide

C14H21N3OS — CID 80583509

IUPAC5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3OS/c1-17(2)13-6-5-10(15)8-12(13)14(18)16-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyTZYGPGTZQOZJIE-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.96
Rot. Bonds4

About 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide

5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80583509) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80583509
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3OS/c1-17(2)13-6-5-10(15)8-12(13)14(18)16-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyTZYGPGTZQOZJIE-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.96
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N-(thiolan-2-ylmethyl)benzamide
CID 80583719
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 80596349
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
5-amino-2-(dimethylamino)-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 61102161
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
4-amino-2-(thiolan-2-ylmethylamino)benzoic acid
CID 80585996
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide (CID 80583509) is 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide is CN(C)c1ccc(N)cc1C(=O)NCC1CCCS1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is TZYGPGTZQOZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-17(2)13-6-5-10(15)8-12(13)14(18)16-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide?
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 279.41 g/mol, XLogP of 1.96, 4 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-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80583509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).