N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide

C13H23N3OS — CID 136985094

IUPACN-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide
SMILESCC1(C)CCS/C(=N\CCCC(=O)NC2CC2)N1
InChIInChI=1S/C13H23N3OS/c1-13(2)7-9-18-12(16-13)14-8-3-4-11(17)15-10-5-6-10/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLGPNHCBJJXIHLY-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide

N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide (PubChem CID 136985094) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide
PubChem CID136985094
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide
SMILESCC1(C)CCS/C(=N\CCCC(=O)NC2CC2)N1
InChIInChI=1S/C13H23N3OS/c1-13(2)7-9-18-12(16-13)14-8-3-4-11(17)15-10-5-6-10/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLGPNHCBJJXIHLY-UHFFFAOYSA-N
XLogP1.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
CID 136984877
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
CID 136896889
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
3-(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)-N-cyclopropylpropanamide
CID 136993526
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]-N-propylpropanamide
CID 136987649
N,N'-dicyclopropylbutanediamide
CID 5225156
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide (CID 136985094) is N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide is CC1(C)CCS/C(=N\CCCC(=O)NC2CC2)N1.
What is the InChIKey of N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide?
The InChIKey is LGPNHCBJJXIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2)7-9-18-12(16-13)14-8-3-4-11(17)15-10-5-6-10/h10H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide?
N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide has a molecular weight of 269.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]butanamide is sourced from PubChem (CID 136985094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).