N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine

C11H24N2O2S — CID 62433248

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)8-12-9-11(3)13-4-6-16(14,15)7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyBTKIQZXJGXOLTE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62433248) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
PubChem CID62433248
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)8-12-9-11(3)13-4-6-16(14,15)7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyBTKIQZXJGXOLTE-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine (CID 62433248) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is BTKIQZXJGXOLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)8-12-9-11(3)13-4-6-16(14,15)7-5-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62433248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).