2-pentyl-1,2,5-thiadiazocane 1,1-dioxide

C10H22N2O2S — CID 117015233

IUPAC2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCCCCN1CCNCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-2-3-4-8-12-9-7-11-6-5-10-15(12,13)14/h11H,2-10H2,1H3
InChIKeyUHZMHXLHGYFXJP-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds4

About 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide

2-pentyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117015233) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117015233
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCCCCCN1CCNCCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-2-3-4-8-12-9-7-11-6-5-10-15(12,13)14/h11H,2-10H2,1H3
InChIKeyUHZMHXLHGYFXJP-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
3,3-dimethyl-2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016617
1-tricosylpiperazine
CID 130183651
2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
CID 157305429
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
1-pentylpiperidine;pyrrolidine
CID 69027489
hexadecan-1-ol;1-methylpiperazine
CID 68840724
2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
CID 117015150

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117015233) is 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide is CCCCCN1CCNCCCS1(=O)=O.
What is the InChIKey of 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is UHZMHXLHGYFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-4-8-12-9-7-11-6-5-10-15(12,13)14/h11H,2-10H2,1H3.
What are the key properties of 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide?
2-pentyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).