4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide

C14H20N2O2S — CID 63358660

IUPAC4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(SC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2S/c1-16(2)14(17)10-3-4-12(15)13(9-10)19-11-5-7-18-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyTZBLFNRTKXMQQW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.24
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide

4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide (PubChem CID 63358660) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
PubChem CID63358660
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(SC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2S/c1-16(2)14(17)10-3-4-12(15)13(9-10)19-11-5-7-18-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyTZBLFNRTKXMQQW-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide
CID 82989697
4-methoxy-2-(oxan-4-ylsulfanyl)aniline
CID 79518481
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
CID 63358609
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
4-amino-3-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzamide
CID 66103743
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
4-amino-3-(2-methyloxolan-3-yl)sulfanylbenzoic acid
CID 107752881

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide (CID 63358660) is 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide is CN(C)C(=O)c1ccc(N)c(SC2CCOCC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide?
The InChIKey is TZBLFNRTKXMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(2)14(17)10-3-4-12(15)13(9-10)19-11-5-7-18-8-6-11/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide?
4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide has a molecular weight of 280.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide is sourced from PubChem (CID 63358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).