4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide

C12H25NO4S — CID 58283342

IUPAC4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C
InChIInChI=1S/C12H25NO4S/c1-11(17-12(2,3)4)16-8-5-13-6-9-18(14,15)10-7-13/h11H,5-10H2,1-4H3
InChIKeyVJKSUOGFGNBSDK-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.89
Rot. Bonds5

About 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283342) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283342
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C
InChIInChI=1S/C12H25NO4S/c1-11(17-12(2,3)4)16-8-5-13-6-9-18(14,15)10-7-13/h11H,5-10H2,1-4H3
InChIKeyVJKSUOGFGNBSDK-UHFFFAOYSA-N
XLogP0.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-N'-hydroxypropanimidamide
CID 114266293
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
CID 106246276
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
CID 65247199
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62624613
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62560247
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
CID 65254132
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283342) is 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide is CC(OCCN1CCS(=O)(=O)CC1)OC(C)(C)C.
What is the InChIKey of 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VJKSUOGFGNBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-11(17-12(2,3)4)16-8-5-13-6-9-18(14,15)10-7-13/h11H,5-10H2,1-4H3.
What are the key properties of 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 279.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).