N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide

C12H17NOS2 — CID 115167080

IUPACN-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
SMILESCC(C)Sc1ccc(N(C)C(=O)CS)cc1
InChIInChI=1S/C12H17NOS2/c1-9(2)16-11-6-4-10(5-7-11)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3
InChIKeyBEEDDVMDOBTUDY-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide

N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide (PubChem CID 115167080) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
PubChem CID115167080
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC NameN-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
SMILESCC(C)Sc1ccc(N(C)C(=O)CS)cc1
InChIInChI=1S/C12H17NOS2/c1-9(2)16-11-6-4-10(5-7-11)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3
InChIKeyBEEDDVMDOBTUDY-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115178682
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115225597
N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
methyl-[(4-propan-2-ylsulfanylphenyl)methyl]carbamothioic S-acid
CID 115170158
N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
CID 117043923
methyl 3-(N-methyl-4-propan-2-ylsulfanylanilino)propanoate
CID 115232328
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one
CID 116910553
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide (CID 115167080) is N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide is CC(C)Sc1ccc(N(C)C(=O)CS)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide?
The InChIKey is BEEDDVMDOBTUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS2/c1-9(2)16-11-6-4-10(5-7-11)13(3)12(14)8-15/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide?
N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide has a molecular weight of 255.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 115167080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).