3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C13H20N2OS — CID 112701900

IUPAC3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-11(7-12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeySECUYXNKYYCUFD-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.40
Rot. Bonds4

About 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide

3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112701900) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112701900
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-11(7-12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeySECUYXNKYYCUFD-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
4-bromo-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692087
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112701900) is 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is SECUYXNKYYCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-11(7-12(9)14)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3.
What are the key properties of 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112701900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).