N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide

C14H20N2OS — CID 62092235

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)CC(N)=S)c(C)c1
InChIInChI=1S/C14H20N2OS/c1-8-5-9(2)13(10(3)6-8)14(17)16-11(4)7-12(15)18/h5-6,11H,7H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyGTHLVRYGXHBGTR-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide (PubChem CID 62092235) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
PubChem CID62092235
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)CC(N)=S)c(C)c1
InChIInChI=1S/C14H20N2OS/c1-8-5-9(2)13(10(3)6-8)14(17)16-11(4)7-12(15)18/h5-6,11H,7H2,1-4H3,(H2,15,18)(H,16,17)
InChIKeyGTHLVRYGXHBGTR-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-3-bromo-5-methylbenzamide
CID 104851568
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
3-(2,4,6-trimethylanilino)butanethioamide
CID 82083745
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62092045
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,4-dimethoxybenzamide
CID 62093873
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
N-(4-amino-4-sulfanylidenebutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107972197
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide (CID 62092235) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)CC(N)=S)c(C)c1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide?
The InChIKey is GTHLVRYGXHBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8-5-9(2)13(10(3)6-8)14(17)16-11(4)7-12(15)18/h5-6,11H,7H2,1-4H3,(H2,15,18)(H,16,17).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 62092235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).