3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole

C10H17N3OS2 — CID 19600352

IUPAC3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole
SMILESCCCCSc1nsnc1OC1CCNC1
InChIInChI=1S/C10H17N3OS2/c1-2-3-6-15-10-9(12-16-13-10)14-8-4-5-11-7-8/h8,11H,2-7H2,1H3
InChIKeyRXIHGLVUICOBCR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.17
Rot. Bonds6

About 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole

3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole (PubChem CID 19600352) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole
PubChem CID19600352
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole
SMILESCCCCSc1nsnc1OC1CCNC1
InChIInChI=1S/C10H17N3OS2/c1-2-3-6-15-10-9(12-16-13-10)14-8-4-5-11-7-8/h8,11H,2-7H2,1H3
InChIKeyRXIHGLVUICOBCR-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-ethyl-2-pyrrolidin-3-yloxypyrazine
CID 167350866
6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine
CID 62348094
triethyl-[(3S)-pyrrolidin-3-yl]oxysilane
CID 175987275
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
3-bromo-5-methyl-2-pyrrolidin-3-yloxypyridine
CID 105368575
2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82189969
4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
CID 79400429
8-(1-ethyl-5-methylpyrazol-4-yl)-6-pyrrolidin-3-yloxy-7H-purine
CID 123615721
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
(3S)-3-ethoxypyrrolidine
CID 11116030
3-ethoxypyrrolidine
CID 21333172
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole?
The IUPAC name of 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole (CID 19600352) is 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole?
The canonical SMILES for 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole is CCCCSc1nsnc1OC1CCNC1.
What is the InChIKey of 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole?
The InChIKey is RXIHGLVUICOBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-3-6-15-10-9(12-16-13-10)14-8-4-5-11-7-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole?
3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole has a molecular weight of 259.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-4-pyrrolidin-3-yloxy-1,2,5-thiadiazole is sourced from PubChem (CID 19600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).