1-(2,2-dimethylpropyl)piperidine-4-thiol

C10H21NS — CID 137454957

IUPAC1-(2,2-dimethylpropyl)piperidine-4-thiol
SMILESCC(C)(C)CN1CCC(S)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)8-11-6-4-9(12)5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyXGHKPXPMAIYQRF-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,2-dimethylpropyl)piperidine-4-thiol

1-(2,2-dimethylpropyl)piperidine-4-thiol (PubChem CID 137454957) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)piperidine-4-thiol.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)piperidine-4-thiol
PubChem CID137454957
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(2,2-dimethylpropyl)piperidine-4-thiol
SMILESCC(C)(C)CN1CCC(S)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)8-11-6-4-9(12)5-7-11/h9,12H,4-8H2,1-3H3
InChIKeyXGHKPXPMAIYQRF-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
CID 158145393
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)piperidine-4-thiol?
The IUPAC name of 1-(2,2-dimethylpropyl)piperidine-4-thiol (CID 137454957) is 1-(2,2-dimethylpropyl)piperidine-4-thiol.
What is the SMILES notation for 1-(2,2-dimethylpropyl)piperidine-4-thiol?
The canonical SMILES for 1-(2,2-dimethylpropyl)piperidine-4-thiol is CC(C)(C)CN1CCC(S)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)piperidine-4-thiol?
The InChIKey is XGHKPXPMAIYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)8-11-6-4-9(12)5-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)piperidine-4-thiol?
1-(2,2-dimethylpropyl)piperidine-4-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)piperidine-4-thiol is sourced from PubChem (CID 137454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).