5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol

C13H27NS — CID 103504387

IUPAC5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
SMILESCC(C)C1CCN(CCCCCS)CC1
InChIInChI=1S/C13H27NS/c1-12(2)13-6-9-14(10-7-13)8-4-3-5-11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyDKWTXSGDSWJYGS-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.45
Rot. Bonds6

About 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol

5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol (PubChem CID 103504387) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol.

Molecular Properties

Compound Name5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
PubChem CID103504387
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
SMILESCC(C)C1CCN(CCCCCS)CC1
InChIInChI=1S/C13H27NS/c1-12(2)13-6-9-14(10-7-13)8-4-3-5-11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyDKWTXSGDSWJYGS-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.45
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-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
5-[4-(2-sulfanylethyl)piperidin-1-yl]pentane-1-thiol
CID 139775107
6-(4-propan-2-ylpiperidin-1-yl)hexan-3-amine
CID 106800167
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol?
The IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol (CID 103504387) is 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol.
What is the SMILES notation for 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol?
The canonical SMILES for 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol is CC(C)C1CCN(CCCCCS)CC1.
What is the InChIKey of 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol?
The InChIKey is DKWTXSGDSWJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(2)13-6-9-14(10-7-13)8-4-3-5-11-15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol?
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol has a molecular weight of 229.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol is sourced from PubChem (CID 103504387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).