N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide

C15H21N3O2S — CID 78457444

IUPACN-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSC2CC(C)NC(=O)N2)c1C
InChIInChI=1S/C15H21N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-7-10(2)16-15(20)18-14/h4-6,10,14H,7-8H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyBICGUMAYCOVDQG-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.39
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide

N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (PubChem CID 78457444) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
PubChem CID78457444
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSC2CC(C)NC(=O)N2)c1C
InChIInChI=1S/C15H21N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-7-10(2)16-15(20)18-14/h4-6,10,14H,7-8H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyBICGUMAYCOVDQG-UHFFFAOYSA-N
XLogP2.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide (CID 78457444) is N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSC2CC(C)NC(=O)N2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
The InChIKey is BICGUMAYCOVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-5-4-6-12(11(9)3)17-13(19)8-21-14-7-10(2)16-15(20)18-14/h4-6,10,14H,7-8H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide?
N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 78457444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).