5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide

C8H16N2O2S — CID 117015264

IUPAC5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESC=CCN1CCCS(=O)(=O)NCC1
InChIInChI=1S/C8H16N2O2S/c1-2-5-10-6-3-8-13(11,12)9-4-7-10/h2,9H,1,3-8H2
InChIKeyDSBALVKSZQGXGE-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds2

About 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide

5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117015264) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117015264
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESC=CCN1CCCS(=O)(=O)NCC1
InChIInChI=1S/C8H16N2O2S/c1-2-5-10-6-3-8-13(11,12)9-4-7-10/h2,9H,1,3-8H2
InChIKeyDSBALVKSZQGXGE-UHFFFAOYSA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl(213C)azinane
CID 173137320
5-methyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015259
1-prop-2-enylpiperidine;urea
CID 66978518
3-prop-2-enyl-3-azaspiro[5.5]undecane
CID 125489505
2-prop-2-enyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117014276
1-iodo-4-prop-2-enylpiperazine
CID 129141031
3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
CID 18186117
2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propanal
CID 15718282
bromobenzene;ethane;methanamine;1-prop-2-enylazetidine
CID 142437182
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117015264) is 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide is C=CCN1CCCS(=O)(=O)NCC1.
What is the InChIKey of 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is DSBALVKSZQGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-5-10-6-3-8-13(11,12)9-4-7-10/h2,9H,1,3-8H2.
What are the key properties of 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide?
5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).