4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine

C11H24N2O2S — CID 66455576

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(12-4)11(2,3)9-13-5-7-16(14,15)8-6-13/h10,12H,5-9H2,1-4H3
InChIKeyPFVJGPVUUTYDQS-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.35
Rot. Bonds4

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 66455576) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID66455576
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(12-4)11(2,3)9-13-5-7-16(14,15)8-6-13/h10,12H,5-9H2,1-4H3
InChIKeyPFVJGPVUUTYDQS-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine (CID 66455576) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine is CNC(C)C(C)(C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is PFVJGPVUUTYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(12-4)11(2,3)9-13-5-7-16(14,15)8-6-13/h10,12H,5-9H2,1-4H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 0.35, 4 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,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 66455576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).