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

C7H14F2N2O2S — CID 114384550

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9,5-10)6-11-1-3-14(12,13)4-2-11/h1-6,10H2
InChIKeyXHRLAXIVYRUCOB-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.69
Rot. Bonds3

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

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine (PubChem CID 114384550) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine
PubChem CID114384550
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9,5-10)6-11-1-3-14(12,13)4-2-11/h1-6,10H2
InChIKeyXHRLAXIVYRUCOB-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine (CID 114384550) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine is NCC(F)(F)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine?
The InChIKey is XHRLAXIVYRUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9,5-10)6-11-1-3-14(12,13)4-2-11/h1-6,10H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine has a molecular weight of 228.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 114384550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).