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

C13H25N3OS — CID 136933414

IUPACN-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCCC1CCS/C(=N\CCC(=O)NC(C)(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-5-10-7-9-18-12(15-10)14-8-6-11(17)16-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyWKFCYRDRSMBNJA-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.15
Rot. Bonds4

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

N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide (PubChem CID 136933414) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
PubChem CID136933414
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCCC1CCS/C(=N\CCC(=O)NC(C)(C)C)N1
InChIInChI=1S/C13H25N3OS/c1-5-10-7-9-18-12(15-10)14-8-6-11(17)16-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyWKFCYRDRSMBNJA-UHFFFAOYSA-N
XLogP2.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.15
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

3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
CID 136933415
3-(1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-ylideneamino)-N-tert-butylpropanamide
CID 136747288
4-ethyl-N-octyl-1,3-thiazinan-2-imine
CID 136933398
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide
CID 136713428
N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136757322
2-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-tert-butylacetamide
CID 136993539
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
CID 136723626
4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
CID 136933339
4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136817006

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide (CID 136933414) is N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide is CCC1CCS/C(=N\CCC(=O)NC(C)(C)C)N1.
What is the InChIKey of N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The InChIKey is WKFCYRDRSMBNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-10-7-9-18-12(15-10)14-8-6-11(17)16-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide has a molecular weight of 271.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide is sourced from PubChem (CID 136933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).