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

C12H23N3OS — CID 136848164

IUPACN,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCC(C)C1CCS/C(=N\CCC(=O)N(C)C)N1
InChIInChI=1S/C12H23N3OS/c1-9(2)10-6-8-17-12(14-10)13-7-5-11(16)15(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyDIGRANBHASLFIL-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.57
Rot. Bonds4

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

N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide (PubChem CID 136848164) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
PubChem CID136848164
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
SMILESCC(C)C1CCS/C(=N\CCC(=O)N(C)C)N1
InChIInChI=1S/C12H23N3OS/c1-9(2)10-6-8-17-12(14-10)13-7-5-11(16)15(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyDIGRANBHASLFIL-UHFFFAOYSA-N
XLogP1.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
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,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide (CID 136848164) is N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide is CC(C)C1CCS/C(=N\CCC(=O)N(C)C)N1.
What is the InChIKey of N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide?
The InChIKey is DIGRANBHASLFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-9(2)10-6-8-17-12(14-10)13-7-5-11(16)15(3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide?
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide has a molecular weight of 257.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide is sourced from PubChem (CID 136848164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).