4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C10H19NO4S — CID 66473915

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C10H19NO4S/c12-16(13)8-4-11(5-9-16)3-2-10-14-6-1-7-15-10/h10H,1-9H2
InChIKeyZSNVZRJBQCVZBR-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.13
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 66473915) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID66473915
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C10H19NO4S/c12-16(13)8-4-11(5-9-16)3-2-10-14-6-1-7-15-10/h10H,1-9H2
InChIKeyZSNVZRJBQCVZBR-UHFFFAOYSA-N
XLogP-0.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbutan-1-amine
CID 177930535
4-[3-(Methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide
CID 167053059
4-(3,3-Diethoxypropyl)-1,4-thiazinane 1,1-dioxide
CID 55249950
4-(3,3-Diethoxypropyl)-1,4-thiazinane 1-oxide
CID 63627907
4-(3,3-Diethoxypropyl)-3-ethylsulfonylthiomorpholine
CID 66377321
4-(3,3-Diethoxypropyl)-3-methylsulfonylthiomorpholine
CID 66384342
4-[2-(1,3-Dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
CID 66472120
4-[2-(1,3-Dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide
CID 66473309
4-[2-(1,3-Dioxan-2-yl)ethyl]thiomorpholine
CID 66474322
4-[2-(1,3-Dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine
CID 66474333
4-[2-(1,3-Dioxan-2-yl)ethyl]-3-ethylsulfonylthiomorpholine
CID 66474334
N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 66474515

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 66473915) is 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCC2OCCCO2)CC1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZSNVZRJBQCVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-16(13)8-4-11(5-9-16)3-2-10-14-6-1-7-15-10/h10H,1-9H2.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 249.33 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66473915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).