N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide

C12H21N3OS — CID 136981461

IUPACN-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCC1CC(C)S/C(=N\CCC(=O)NC2CC2)N1
InChIInChI=1S/C12H21N3OS/c1-8-7-9(2)17-12(14-8)13-6-5-11(16)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQSHTWEKWYIAUJL-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.51
Rot. Bonds4

About N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide

N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide (PubChem CID 136981461) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
PubChem CID136981461
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCC1CC(C)S/C(=N\CCC(=O)NC2CC2)N1
InChIInChI=1S/C12H21N3OS/c1-8-7-9(2)17-12(14-8)13-6-5-11(16)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyQSHTWEKWYIAUJL-UHFFFAOYSA-N
XLogP1.51
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide (CID 136981461) is N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide is CC1CC(C)S/C(=N\CCC(=O)NC2CC2)N1.
What is the InChIKey of N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
The InChIKey is QSHTWEKWYIAUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-7-9(2)17-12(14-8)13-6-5-11(16)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide?
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide is sourced from PubChem (CID 136981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).