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

C12H23N3OS — CID 136993329

IUPACN-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
SMILESCC(C)NC(=O)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H23N3OS/c1-8(2)10-5-6-17-12(15-10)13-7-11(16)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUGCHZOXXFAFREH-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.62
Rot. Bonds4

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

N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide (PubChem CID 136993329) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
PubChem CID136993329
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
SMILESCC(C)NC(=O)C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C12H23N3OS/c1-8(2)10-5-6-17-12(15-10)13-7-11(16)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUGCHZOXXFAFREH-UHFFFAOYSA-N
XLogP1.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.62
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-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
[2-oxo-2-(propan-2-ylamino)ethyl]iminotungsten
CID 59296924
N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993382
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide (CID 136993329) is N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide is CC(C)NC(=O)C/N=C1/NC(C(C)C)CCS1.
What is the InChIKey of N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide?
The InChIKey is UGCHZOXXFAFREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-8(2)10-5-6-17-12(15-10)13-7-11(16)14-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide?
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide has a molecular weight of 257.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide is sourced from PubChem (CID 136993329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).