2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

C16H29N3O3S — CID 123540921

IUPAC2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESC/C(=N\C(C)CC1CCCCC1)C(=O)NN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H29N3O3S/c1-13(12-15-6-4-3-5-7-15)17-14(2)16(20)18-19-8-10-23(21,22)11-9-19/h13,15H,3-12H2,1-2H3,(H,18,20)/b17-14+
InChIKeyOBZBVKJMLJHHDV-SAPNQHFASA-N
MW343.49 g/mol
LogP1.57
Rot. Bonds5

About 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (PubChem CID 123540921) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.

Molecular Properties

Compound Name2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
PubChem CID123540921
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESC/C(=N\C(C)CC1CCCCC1)C(=O)NN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H29N3O3S/c1-13(12-15-6-4-3-5-7-15)17-14(2)16(20)18-19-8-10-23(21,22)11-9-19/h13,15H,3-12H2,1-2H3,(H,18,20)/b17-14+
InChIKeyOBZBVKJMLJHHDV-SAPNQHFASA-N
XLogP1.57
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The IUPAC name of 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (CID 123540921) is 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.
What is the SMILES notation for 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The canonical SMILES for 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is C/C(=N\C(C)CC1CCCCC1)C(=O)NN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The InChIKey is OBZBVKJMLJHHDV-SAPNQHFASA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-13(12-15-6-4-3-5-7-15)17-14(2)16(20)18-19-8-10-23(21,22)11-9-19/h13,15H,3-12H2,1-2H3,(H,18,20)/b17-14+.
What are the key properties of 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide has a molecular weight of 343.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is sourced from PubChem (CID 123540921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).