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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Related Compounds

methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 1477150
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
CID 62568807
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
(2S)-3-cyclohexyl-2-[1-(3,3-dimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethylideneamino]-N-(1,4-dimethylpiperidin-4-yl)propanamide
CID 142123378
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403
4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 129190094
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclopentanamine
CID 62568806
1-(azepan-1-yl)-2-[(1,1-dioxothian-4-yl)amino]ethanone
CID 43615246

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).