1-piperidin-1-ylhexane-1-thiol

C11H23NS — CID 135368476

IUPAC1-piperidin-1-ylhexane-1-thiol
SMILESCCCCCC(S)N1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h11,13H,2-10H2,1H3
InChIKeyPSCZCBTVTDVRKB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.31
Rot. Bonds5

About 1-piperidin-1-ylhexane-1-thiol

1-piperidin-1-ylhexane-1-thiol (PubChem CID 135368476) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-piperidin-1-ylhexane-1-thiol.

Molecular Properties

Compound Name1-piperidin-1-ylhexane-1-thiol
PubChem CID135368476
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-piperidin-1-ylhexane-1-thiol
SMILESCCCCCC(S)N1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h11,13H,2-10H2,1H3
InChIKeyPSCZCBTVTDVRKB-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-decan-4-ylpiperidine
CID 142178259
1-decan-3-ylpiperidine
CID 68984931
1-dodecan-2-ylpyrrolidine
CID 70871228
1-pyrrolidin-1-ylpropane-1-thiol
CID 154223827
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
2-piperidin-1-ylheptanoic acid
CID 43803843
1-octan-4-ylazonane
CID 123427772
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(2,2-dimethylundecan-3-yl)pyrrolidine
CID 150582277

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhexane-1-thiol?
The IUPAC name of 1-piperidin-1-ylhexane-1-thiol (CID 135368476) is 1-piperidin-1-ylhexane-1-thiol.
What is the SMILES notation for 1-piperidin-1-ylhexane-1-thiol?
The canonical SMILES for 1-piperidin-1-ylhexane-1-thiol is CCCCCC(S)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhexane-1-thiol?
The InChIKey is PSCZCBTVTDVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h11,13H,2-10H2,1H3.
What are the key properties of 1-piperidin-1-ylhexane-1-thiol?
1-piperidin-1-ylhexane-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhexane-1-thiol is sourced from PubChem (CID 135368476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).