2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide

C8H16N2O3S — CID 117003050

IUPAC2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1CC1CCCO1
InChIInChI=1S/C8H16N2O3S/c11-14(12)9-4-2-5-10(14)7-8-3-1-6-13-8/h8-9H,1-7H2
InChIKeyOULKOYRIZGXXRQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.29
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide

2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 117003050) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID117003050
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1CC1CCCO1
InChIInChI=1S/C8H16N2O3S/c11-14(12)9-4-2-5-10(14)7-8-3-1-6-13-8/h8-9H,1-7H2
InChIKeyOULKOYRIZGXXRQ-UHFFFAOYSA-N
XLogP-0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219
7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100882
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 130663119
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 102567449
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 117003050) is 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)NCCCN1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is OULKOYRIZGXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-14(12)9-4-2-5-10(14)7-8-3-1-6-13-8/h8-9H,1-7H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 220.29 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 117003050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).