N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H23N3O2S2 — CID 102887147

IUPACN-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCS(=O)(=O)CC2C)nc1C
InChIInChI=1S/C13H23N3O2S2/c1-4-5-14-8-12-11(3)15-13(19-12)16-6-7-20(17,18)9-10(16)2/h10,14H,4-9H2,1-3H3
InChIKeyPARIXDWZLQNWPI-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.57
Rot. Bonds5

About N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 102887147) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID102887147
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCS(=O)(=O)CC2C)nc1C
InChIInChI=1S/C13H23N3O2S2/c1-4-5-14-8-12-11(3)15-13(19-12)16-6-7-20(17,18)9-10(16)2/h10,14H,4-9H2,1-3H3
InChIKeyPARIXDWZLQNWPI-UHFFFAOYSA-N
XLogP1.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 102887147) is N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCS(=O)(=O)CC2C)nc1C.
What is the InChIKey of N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is PARIXDWZLQNWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-5-14-8-12-11(3)15-13(19-12)16-6-7-20(17,18)9-10(16)2/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 317.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).