4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide

C13H25NO3S — CID 176761201

IUPAC4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)OC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25NO3S/c1-11(2)17-13-5-3-12(4-6-13)14-7-9-18(15,16)10-8-14/h11-13H,3-10H2,1-2H3
InChIKeyMLKHNWSCODZOKK-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.45
Rot. Bonds3

About 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide

4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 176761201) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
PubChem CID176761201
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)OC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25NO3S/c1-11(2)17-13-5-3-12(4-6-13)14-7-9-18(15,16)10-8-14/h11-13H,3-10H2,1-2H3
InChIKeyMLKHNWSCODZOKK-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
Ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696587
4-[2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethoxy]cyclohexan-1-amine
CID 63870037
4-[3-(1,1-Dioxo-1,4-thiazinan-4-yl)propoxy]cyclohexan-1-amine
CID 63871711
4-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 102888073
N-ethyl-4-(2-ethylsulfonylethoxy)cyclohexan-1-amine
CID 104454922
N-(4-methoxycyclohexyl)-1,1-dioxothian-4-amine
CID 104457174
N-(4-methoxycyclohexyl)-1,1-dioxothian-3-amine
CID 104457932
N-ethyl-4-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
CID 106722536
4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine
CID 106722539

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide (CID 176761201) is 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide is CC(C)OC1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is MLKHNWSCODZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11(2)17-13-5-3-12(4-6-13)14-7-9-18(15,16)10-8-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide?
4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 176761201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).