3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide

C13H25N3OS — CID 136933415

IUPAC3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
SMILESCCC1CCS/C(=N\CCC(=O)NCC(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-4-11-6-8-18-13(16-11)14-7-5-12(17)15-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWROHMTYJGOKSLH-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.01
Rot. Bonds6

About 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide

3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide (PubChem CID 136933415) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
PubChem CID136933415
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
SMILESCCC1CCS/C(=N\CCC(=O)NCC(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-4-11-6-8-18-13(16-11)14-7-5-12(17)15-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWROHMTYJGOKSLH-UHFFFAOYSA-N
XLogP2.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
4-[[(4-ethyl-1,3-thiazinan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803565
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
CID 136748256
3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136951355
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933197
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide (CID 136933415) is 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide is CCC1CCS/C(=N\CCC(=O)NCC(C)C)N1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is WROHMTYJGOKSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-11-6-8-18-13(16-11)14-7-5-12(17)15-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 271.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 136933415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).