3-pentyl-1,2-thiazolidine 1,1-dioxide

C8H17NO2S — CID 156697897

IUPAC3-pentyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCC1CCS(=O)(=O)N1
InChIInChI=1S/C8H17NO2S/c1-2-3-4-5-8-6-7-12(10,11)9-8/h8-9H,2-7H2,1H3
InChIKeyNDJUGRSNICTUHT-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.26
Rot. Bonds4

About 3-pentyl-1,2-thiazolidine 1,1-dioxide

3-pentyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 156697897) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-pentyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-pentyl-1,2-thiazolidine 1,1-dioxide
PubChem CID156697897
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-pentyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCC1CCS(=O)(=O)N1
InChIInChI=1S/C8H17NO2S/c1-2-3-4-5-8-6-7-12(10,11)9-8/h8-9H,2-7H2,1H3
InChIKeyNDJUGRSNICTUHT-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
2-pentylaziridine
CID 19101061
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
2-undecylthietane 1,1-dioxide
CID 71370620
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S)-2-hexylpyrrolidine
CID 7047826
(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 86676751

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-pentyl-1,2-thiazolidine 1,1-dioxide (CID 156697897) is 3-pentyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-pentyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-pentyl-1,2-thiazolidine 1,1-dioxide is CCCCCC1CCS(=O)(=O)N1.
What is the InChIKey of 3-pentyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is NDJUGRSNICTUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-3-4-5-8-6-7-12(10,11)9-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-pentyl-1,2-thiazolidine 1,1-dioxide?
3-pentyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 156697897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).