4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide

C11H21N3OS — CID 136848096

IUPAC4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
SMILESCC(C)C1CCS/C(=N\CCCC(N)=O)N1
InChIInChI=1S/C11H21N3OS/c1-8(2)9-5-7-16-11(14-9)13-6-3-4-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyKOIIAQBXCVKTHN-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.36
Rot. Bonds5

About 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide

4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide (PubChem CID 136848096) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
PubChem CID136848096
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
SMILESCC(C)C1CCS/C(=N\CCCC(N)=O)N1
InChIInChI=1S/C11H21N3OS/c1-8(2)9-5-7-16-11(14-9)13-6-3-4-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyKOIIAQBXCVKTHN-UHFFFAOYSA-N
XLogP1.36
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.36
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'}

Analyze 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
CID 136805725
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide?
The IUPAC name of 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide (CID 136848096) is 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide.
What is the SMILES notation for 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide?
The canonical SMILES for 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide is CC(C)C1CCS/C(=N\CCCC(N)=O)N1.
What is the InChIKey of 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide?
The InChIKey is KOIIAQBXCVKTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)9-5-7-16-11(14-9)13-6-3-4-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide?
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide has a molecular weight of 243.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide is sourced from PubChem (CID 136848096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).