4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C15H30N2O2S2 — CID 146081004

IUPAC4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CSCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H30N2O2S2/c1-14(2)13-20-10-7-16-5-3-15(4-6-16)17-8-11-21(18,19)12-9-17/h14-15H,3-13H2,1-2H3
InChIKeyZRCHKCUNGUEALO-UHFFFAOYSA-N
MW334.55 g/mol
LogP1.57
Rot. Bonds6

About 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 146081004) has the molecular formula C15H30N2O2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID146081004
Molecular FormulaC15H30N2O2S2
Molecular Weight334.55 g/mol
Exact Mass334.17
IUPAC Name4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CSCCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H30N2O2S2/c1-14(2)13-20-10-7-16-5-3-15(4-6-16)17-8-11-21(18,19)12-9-17/h14-15H,3-13H2,1-2H3
InChIKeyZRCHKCUNGUEALO-UHFFFAOYSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
CID 63632366
4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 91662509
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
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 75522596
(2S)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
CID 100687514
4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
CID 71758395
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96580595
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
CID 174302518

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 146081004) is 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is CC(C)CSCCN1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZRCHKCUNGUEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S2/c1-14(2)13-20-10-7-16-5-3-15(4-6-16)17-8-11-21(18,19)12-9-17/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 334.55 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-methylpropylsulfanyl)ethyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 146081004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).