4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine

C13H28N2O2S — CID 62433253

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)11-14-6-4-5-13(3)15-7-9-18(16,17)10-8-15/h12-14H,4-11H2,1-3H3
InChIKeyZGWQZHUAXSEUDJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds7

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62433253) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62433253
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-12(2)11-14-6-4-5-13(3)15-7-9-18(16,17)10-8-15/h12-14H,4-11H2,1-3H3
InChIKeyZGWQZHUAXSEUDJ-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine (CID 62433253) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ZGWQZHUAXSEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(2)11-14-6-4-5-13(3)15-7-9-18(16,17)10-8-15/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62433253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).