4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide

C15H30N2O2S — CID 129190094

IUPAC4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCCC(C[C@H](C)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-13(2)17-6-4-5-15(12-17)11-14(3)16-7-9-20(18,19)10-8-16/h13-15H,4-12H2,1-3H3/t14-,15?/m0/s1
InChIKeyUGZNTSQVCAPHOY-MLCCFXAWSA-N
MW302.48 g/mol
LogP1.62
Rot. Bonds4

About 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide

4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 129190094) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID129190094
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCCC(C[C@H](C)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-13(2)17-6-4-5-15(12-17)11-14(3)16-7-9-20(18,19)10-8-16/h13-15H,4-12H2,1-3H3/t14-,15?/m0/s1
InChIKeyUGZNTSQVCAPHOY-MLCCFXAWSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide (CID 129190094) is 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide is CC(C)N1CCCC(C[C@H](C)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is UGZNTSQVCAPHOY-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13(2)17-6-4-5-15(12-17)11-14(3)16-7-9-20(18,19)10-8-16/h13-15H,4-12H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide?
4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 129190094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).