4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C16H28N4O2S — CID 86794895

IUPAC4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(CCCN2CCC(N3CCS(=O)(=O)CC3)CC2)cn1
InChIInChI=1S/C16H28N4O2S/c1-18-14-15(13-17-18)3-2-6-19-7-4-16(5-8-19)20-9-11-23(21,22)12-10-20/h13-14,16H,2-12H2,1H3
InChIKeyIUVRUUSKCLXTBJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP0.55
Rot. Bonds5

About 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 86794895) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID86794895
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cc(CCCN2CCC(N3CCS(=O)(=O)CC3)CC2)cn1
InChIInChI=1S/C16H28N4O2S/c1-18-14-15(13-17-18)3-2-6-19-7-4-16(5-8-19)20-9-11-23(21,22)12-10-20/h13-14,16H,2-12H2,1H3
InChIKeyIUVRUUSKCLXTBJ-UHFFFAOYSA-N
XLogP0.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 86794895) is 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is Cn1cc(CCCN2CCC(N3CCS(=O)(=O)CC3)CC2)cn1.
What is the InChIKey of 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is IUVRUUSKCLXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-18-14-15(13-17-18)3-2-6-19-7-4-16(5-8-19)20-9-11-23(21,22)12-10-20/h13-14,16H,2-12H2,1H3.
What are the key properties of 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 340.49 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 86794895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).