3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide

C15H23N3OS — CID 82992962

IUPAC3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC2(C)CCCS2)c(N)c1
InChIInChI=1S/C15H23N3OS/c1-15(7-4-8-20-15)10-17-13-6-5-11(9-12(13)16)14(19)18(2)3/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyYHVWNTCVXLRVTM-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide

3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide (PubChem CID 82992962) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
PubChem CID82992962
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC2(C)CCCS2)c(N)c1
InChIInChI=1S/C15H23N3OS/c1-15(7-4-8-20-15)10-17-13-6-5-11(9-12(13)16)14(19)18(2)3/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyYHVWNTCVXLRVTM-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.67
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-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
methyl 4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzoate
CID 82795660
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
2-amino-4-[(2-methylthiolan-2-yl)methylamino]benzoic acid
CID 104500803
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide (CID 82992962) is 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide is CN(C)C(=O)c1ccc(NCC2(C)CCCS2)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide?
The InChIKey is YHVWNTCVXLRVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(7-4-8-20-15)10-17-13-6-5-11(9-12(13)16)14(19)18(2)3/h5-6,9,17H,4,7-8,10,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide?
3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide has a molecular weight of 293.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide is sourced from PubChem (CID 82992962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).