1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol

C11H23NS — CID 123310773

IUPAC1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol
SMILESCCC(S)C1CCNC(C(C)C)C1
InChIInChI=1S/C11H23NS/c1-4-11(13)9-5-6-12-10(7-9)8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyHHAUDGJISNWZOK-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.72
Rot. Bonds3

About 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol

1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol (PubChem CID 123310773) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol
PubChem CID123310773
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol
SMILESCCC(S)C1CCNC(C(C)C)C1
InChIInChI=1S/C11H23NS/c1-4-11(13)9-5-6-12-10(7-9)8(2)3/h8-13H,4-7H2,1-3H3
InChIKeyHHAUDGJISNWZOK-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.72
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

Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrochloride
CID 217525
Ethanethiol, 2-((4-cyclohexylpentyl)amino)-, hydrochloride
CID 217531
2-(4-Methylpentyl)piperidine
CID 16638154
(S)-2-isohexylpiperidine
CID 93516136
2-(Butan-2-yl)piperidine
CID 5240621
2,6-Bis(2-methylpropyl)piperidine
CID 18763500
2-(3-Methylbutyl)piperidine
CID 21355366
2-Methyl-6-(2-methylpropyl)piperidine
CID 64458043
2-(2-Methylpropyl)piperidine
CID 3965167
1-[(3S,5S)-5-fluoro-5-methylpiperidin-3-yl]ethanethiol
CID 163547590
(2S,6R)-2,6-Dibutyl-4-methylpiperidine
CID 91721451
trans-2,6-Diisobutylpiperidine
CID 15315500

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol?
The IUPAC name of 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol (CID 123310773) is 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol.
What is the SMILES notation for 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol?
The canonical SMILES for 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol is CCC(S)C1CCNC(C(C)C)C1.
What is the InChIKey of 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol?
The InChIKey is HHAUDGJISNWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-11(13)9-5-6-12-10(7-9)8(2)3/h8-13H,4-7H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol?
1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpiperidin-4-yl)propane-1-thiol is sourced from PubChem (CID 123310773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).