4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide

C12H24N2O2S — CID 91401399

IUPAC4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-5-13-6-3-12(4-7-13)14-8-10-17(15,16)11-9-14/h12H,2-11H2,1H3
InChIKeyCGPIVNHKWNNBHQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.59
Rot. Bonds3

About 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 91401399) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID91401399
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-5-13-6-3-12(4-7-13)14-8-10-17(15,16)11-9-14/h12H,2-11H2,1H3
InChIKeyCGPIVNHKWNNBHQ-UHFFFAOYSA-N
XLogP0.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
CID 63632366
4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 146081004
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 91662509
1-(1-iodopiperidin-4-yl)-4-propylpiperazine
CID 170084065
2-[1,1-dioxo-4-(1-propylpiperidin-4-yl)-1,4-thiazinan-3-yl]acetic acid
CID 80520632
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 58394776
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]butane-1,3-dione
CID 110183051
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 71984255

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 91401399) is 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide is CCCN1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is CGPIVNHKWNNBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-5-13-6-3-12(4-7-13)14-8-10-17(15,16)11-9-14/h12H,2-11H2,1H3.
What are the key properties of 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91401399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).