(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine

C16H24N2O3S — CID 164631543

IUPAC(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine
SMILESCC1(C)C[C@H](Nc2cccc(N3CCS(=O)(=O)CC3)c2)CO1
InChIInChI=1S/C16H24N2O3S/c1-16(2)11-14(12-21-16)17-13-4-3-5-15(10-13)18-6-8-22(19,20)9-7-18/h3-5,10,14,17H,6-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCKASPUZCQAWULU-AWEZNQCLSA-N
MW324.45 g/mol
LogP1.90
Rot. Bonds3

About (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine

(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine (PubChem CID 164631543) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine
PubChem CID164631543
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine
SMILESCC1(C)C[C@H](Nc2cccc(N3CCS(=O)(=O)CC3)c2)CO1
InChIInChI=1S/C16H24N2O3S/c1-16(2)11-14(12-21-16)17-13-4-3-5-15(10-13)18-6-8-22(19,20)9-7-18/h3-5,10,14,17H,6-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyCKASPUZCQAWULU-AWEZNQCLSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine?
The IUPAC name of (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine (CID 164631543) is (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine is CC1(C)C[C@H](Nc2cccc(N3CCS(=O)(=O)CC3)c2)CO1.
What is the InChIKey of (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine?
The InChIKey is CKASPUZCQAWULU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2)11-14(12-21-16)17-13-4-3-5-15(10-13)18-6-8-22(19,20)9-7-18/h3-5,10,14,17H,6-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine?
(3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine has a molecular weight of 324.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-5,5-dimethyloxolan-3-amine is sourced from PubChem (CID 164631543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).