ethanethiol;piperidine

C7H17NS — CID 157114701

IUPACethanethiol;piperidine
SMILESC1CCNCC1.CCS
InChIInChI=1S/C5H11N.C2H6S/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;3H,2H2,1H3
InChIKeyAHGICXXNFOARCJ-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.70
Rot. Bonds

About ethanethiol;piperidine

ethanethiol;piperidine (PubChem CID 157114701) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is ethanethiol;piperidine.

Molecular Properties

Compound Nameethanethiol;piperidine
PubChem CID157114701
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Nameethanethiol;piperidine
SMILESC1CCNCC1.CCS
InChIInChI=1S/C5H11N.C2H6S/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;3H,2H2,1H3
InChIKeyAHGICXXNFOARCJ-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;propane;pyrrolidine
CID 91102166
azepane;piperidine
CID 67415778
azacycloheptadecane
CID 22627811
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
ethane;methane;piperidine
CID 142115538
1,4-diazonane;ethane
CID 176692085
CID 174960010
CID 174960010
azonane;manganese
CID 57468151
λ2-plumbane;piperidine
CID 174691301

Frequently Asked Questions

What is the IUPAC name of ethanethiol;piperidine?
The IUPAC name of ethanethiol;piperidine (CID 157114701) is ethanethiol;piperidine.
What is the SMILES notation for ethanethiol;piperidine?
The canonical SMILES for ethanethiol;piperidine is C1CCNCC1.CCS.
What is the InChIKey of ethanethiol;piperidine?
The InChIKey is AHGICXXNFOARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6S/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;3H,2H2,1H3.
What are the key properties of ethanethiol;piperidine?
ethanethiol;piperidine has a molecular weight of 147.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;piperidine is sourced from PubChem (CID 157114701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).