2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide

C10H20N2O3S — CID 117015219

IUPAC2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
SMILESO=S1(=O)CCCNCCN1CC1CCCO1
InChIInChI=1S/C10H20N2O3S/c13-16(14)8-2-4-11-5-6-12(16)9-10-3-1-7-15-10/h10-11H,1-9H2
InChIKeyUBKBMHQNXGDMFV-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide

2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117015219) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117015219
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
SMILESO=S1(=O)CCCNCCN1CC1CCCO1
InChIInChI=1S/C10H20N2O3S/c13-16(14)8-2-4-11-5-6-12(16)9-10-3-1-7-15-10/h10-11H,1-9H2
InChIKeyUBKBMHQNXGDMFV-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003050
7-methyl-2-(oxan-2-ylmethyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100882
1-(oxan-2-ylmethyl)piperazine
CID 14981447
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015233
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
5-[(1,1-dioxothiazinan-2-yl)methyl]oxolane-2-carboxylic acid
CID 116814491

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide (CID 117015219) is 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide is O=S1(=O)CCCNCCN1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is UBKBMHQNXGDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-16(14)8-2-4-11-5-6-12(16)9-10-3-1-7-15-10/h10-11H,1-9H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide?
2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 248.35 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).