4-butyl-1,4-thiazinane 1,1-dioxide;ethane

C10H23NO2S — CID 143865715

IUPAC4-butyl-1,4-thiazinane 1,1-dioxide;ethane
SMILESCC.CCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S.C2H6/c1-2-3-4-9-5-7-12(10,11)8-6-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyLPRHGYKZBPADDH-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.54
Rot. Bonds3

About 4-butyl-1,4-thiazinane 1,1-dioxide;ethane

4-butyl-1,4-thiazinane 1,1-dioxide;ethane (PubChem CID 143865715) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-butyl-1,4-thiazinane 1,1-dioxide;ethane.

Molecular Properties

Compound Name4-butyl-1,4-thiazinane 1,1-dioxide;ethane
PubChem CID143865715
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-butyl-1,4-thiazinane 1,1-dioxide;ethane
SMILESCC.CCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S.C2H6/c1-2-3-4-9-5-7-12(10,11)8-6-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyLPRHGYKZBPADDH-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylazetidine;ethane
CID 143628082
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]hydrazine
CID 22326506
ethane;1-methyl-4-pentylpiperazine
CID 145099418
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
CID 65254132
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
CID 12524103
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethyl-2-hexylguanidine
CID 111161343
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,4-thiazinane 1,1-dioxide;ethane?
The IUPAC name of 4-butyl-1,4-thiazinane 1,1-dioxide;ethane (CID 143865715) is 4-butyl-1,4-thiazinane 1,1-dioxide;ethane.
What is the SMILES notation for 4-butyl-1,4-thiazinane 1,1-dioxide;ethane?
The canonical SMILES for 4-butyl-1,4-thiazinane 1,1-dioxide;ethane is CC.CCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-butyl-1,4-thiazinane 1,1-dioxide;ethane?
The InChIKey is LPRHGYKZBPADDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.C2H6/c1-2-3-4-9-5-7-12(10,11)8-6-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of 4-butyl-1,4-thiazinane 1,1-dioxide;ethane?
4-butyl-1,4-thiazinane 1,1-dioxide;ethane has a molecular weight of 221.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,4-thiazinane 1,1-dioxide;ethane is sourced from PubChem (CID 143865715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).