ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide

C14H31NO2S — CID 143646922

IUPACethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC.CC1CCCCC1.CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14.C5H11NO2S.C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-2/h7H,2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyQARUBDRPZVYYHL-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.96
Rot. Bonds

About ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide

ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 143646922) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Nameethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID143646922
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Nameethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC.CC1CCCCC1.CN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14.C5H11NO2S.C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-2/h7H,2-6H2,1H3;2-5H2,1H3;1-2H3
InChIKeyQARUBDRPZVYYHL-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide (CID 143646922) is ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide is CC.CC1CCCCC1.CN1CCS(=O)(=O)CC1.
What is the InChIKey of ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is QARUBDRPZVYYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C5H11NO2S.C2H6/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-2/h7H,2-6H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide?
ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 277.47 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 143646922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).