2-methyl-4-piperidin-2-ylbutane-2-thiol

C10H21NS — CID 144582165

IUPAC2-methyl-4-piperidin-2-ylbutane-2-thiol
SMILESCC(C)(S)CCC1CCCCN1
InChIInChI=1S/C10H21NS/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3
InChIKeyCLUKQAZYQNGRCF-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-4-piperidin-2-ylbutane-2-thiol

2-methyl-4-piperidin-2-ylbutane-2-thiol (PubChem CID 144582165) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-4-piperidin-2-ylbutane-2-thiol.

Molecular Properties

Compound Name2-methyl-4-piperidin-2-ylbutane-2-thiol
PubChem CID144582165
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-4-piperidin-2-ylbutane-2-thiol
SMILESCC(C)(S)CCC1CCCCN1
InChIInChI=1S/C10H21NS/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3
InChIKeyCLUKQAZYQNGRCF-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-piperidin-2-ylbutane-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Isopropylpiperidine
CID 4400212
2,2,6-Trimethylpiperidine
CID 14241662
2-(2-Methylpropyl)piperidine hydrochloride
CID 17389625
2-(4-Methylpentyl)piperidine
CID 16638154
2,6-Di-tert-butylpiperidine
CID 144198
(S)-2-isohexylpiperidine
CID 93516136
2-(Butan-2-yl)piperidine
CID 5240621
(2S)-2-(propan-2-yl)piperidine
CID 7022854
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-2-ylbutane-2-thiol?
The IUPAC name of 2-methyl-4-piperidin-2-ylbutane-2-thiol (CID 144582165) is 2-methyl-4-piperidin-2-ylbutane-2-thiol.
What is the SMILES notation for 2-methyl-4-piperidin-2-ylbutane-2-thiol?
The canonical SMILES for 2-methyl-4-piperidin-2-ylbutane-2-thiol is CC(C)(S)CCC1CCCCN1.
What is the InChIKey of 2-methyl-4-piperidin-2-ylbutane-2-thiol?
The InChIKey is CLUKQAZYQNGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,12)7-6-9-5-3-4-8-11-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-piperidin-2-ylbutane-2-thiol?
2-methyl-4-piperidin-2-ylbutane-2-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-2-ylbutane-2-thiol is sourced from PubChem (CID 144582165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).