3-piperidin-1-ylpropyl thiohypochlorite

C8H16ClNS — CID 22894470

IUPAC3-piperidin-1-ylpropyl thiohypochlorite
SMILESClSCCCN1CCCCC1
InChIInChI=1S/C8H16ClNS/c9-11-8-4-7-10-5-2-1-3-6-10/h1-8H2
InChIKeyBHBNUYBKMNDMHV-UHFFFAOYSA-N
MW193.74 g/mol
LogP2.75
Rot. Bonds4

About 3-piperidin-1-ylpropyl thiohypochlorite

3-piperidin-1-ylpropyl thiohypochlorite (PubChem CID 22894470) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl thiohypochlorite.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl thiohypochlorite
PubChem CID22894470
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name3-piperidin-1-ylpropyl thiohypochlorite
SMILESClSCCCN1CCCCC1
InChIInChI=1S/C8H16ClNS/c9-11-8-4-7-10-5-2-1-3-6-10/h1-8H2
InChIKeyBHBNUYBKMNDMHV-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tert-butylsulfanylpropyl)piperidine
CID 161387575
1-(3-propan-2-ylsulfanylpropyl)piperidine
CID 126550120
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-(4-chlorobutyl)azepane
CID 22568254
trichloro(3-piperidin-1-ylpropyl)silane
CID 19900964
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
5-(azocan-1-yl)pentanenitrile
CID 60688798
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
dichloro-methyl-(3-piperidin-1-ylpropyl)silane
CID 19900955
1-(3-bromopropyl)pyrrolidine
CID 13034044

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl thiohypochlorite?
The IUPAC name of 3-piperidin-1-ylpropyl thiohypochlorite (CID 22894470) is 3-piperidin-1-ylpropyl thiohypochlorite.
What is the SMILES notation for 3-piperidin-1-ylpropyl thiohypochlorite?
The canonical SMILES for 3-piperidin-1-ylpropyl thiohypochlorite is ClSCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl thiohypochlorite?
The InChIKey is BHBNUYBKMNDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNS/c9-11-8-4-7-10-5-2-1-3-6-10/h1-8H2.
What are the key properties of 3-piperidin-1-ylpropyl thiohypochlorite?
3-piperidin-1-ylpropyl thiohypochlorite has a molecular weight of 193.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl thiohypochlorite is sourced from PubChem (CID 22894470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).