ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide

C13H27NO2S — CID 176696587

IUPACethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
SMILESCC.COC1CCC(N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H21NO2S.C2H6/c1-14-11-4-2-10(3-5-11)12-6-8-15(13)9-7-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeySHAYUTBKZLMZLV-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.03
Rot. Bonds2

About ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide

ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide (PubChem CID 176696587) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Nameethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
PubChem CID176696587
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Nameethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
SMILESCC.COC1CCC(N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H21NO2S.C2H6/c1-14-11-4-2-10(3-5-11)12-6-8-15(13)9-7-12;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeySHAYUTBKZLMZLV-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
4-(4-Octan-3-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 145853877
Ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696563
4-(4-Propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 176761201
4-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 102888073
N-(2-ethylsulfinylethyl)-4-methoxycyclohexan-1-amine
CID 104530215
N-(4-methoxycyclohexyl)-1-oxothian-4-amine
CID 104665736
4-(1-Oxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 114762471
4-(2,6-Dimethylthiomorpholin-4-yl)cyclohexan-1-ol
CID 114762605
4-(2-Methylthiomorpholin-4-yl)cyclohexan-1-ol
CID 114762706
4-(4-Methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696564

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide?
The IUPAC name of ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide (CID 176696587) is ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide is CC.COC1CCC(N2CCS(=O)CC2)CC1.
What is the InChIKey of ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide?
The InChIKey is SHAYUTBKZLMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S.C2H6/c1-14-11-4-2-10(3-5-11)12-6-8-15(13)9-7-12;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide?
ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide has a molecular weight of 261.43 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 176696587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).