N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

C16H23N3OS — CID 3149642

IUPACN-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=S)NC(C)(C)CC2C)cc1
InChIInChI=1S/C16H23N3OS/c1-11-5-7-13(8-6-11)17-14(20)10-19-12(2)9-16(3,4)18-15(19)21/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyQRAMCZCHPSTROR-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.68
Rot. Bonds3

About N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide

N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide (PubChem CID 3149642) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
PubChem CID3149642
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=S)NC(C)(C)CC2C)cc1
InChIInChI=1S/C16H23N3OS/c1-11-5-7-13(8-6-11)17-14(20)10-19-12(2)9-16(3,4)18-15(19)21/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyQRAMCZCHPSTROR-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.68
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-ethylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
CID 4591606
N-(4-propan-2-ylphenyl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butanamide
CID 4146087
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
CID 46736091
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 66073547
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-methyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371911
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide (CID 3149642) is N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=S)NC(C)(C)CC2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide?
The InChIKey is QRAMCZCHPSTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-5-7-13(8-6-11)17-14(20)10-19-12(2)9-16(3,4)18-15(19)21/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide?
N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 3149642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).