4-[2-(disulfanyl)propan-2-yl]piperidine

C8H17NS2 — CID 129273648

IUPAC4-[2-(disulfanyl)propan-2-yl]piperidine
SMILESCC(C)(SS)C1CCNCC1
InChIInChI=1S/C8H17NS2/c1-8(2,11-10)7-3-5-9-6-4-7/h7,9-10H,3-6H2,1-2H3
InChIKeyCDDVRGKLFBVUFC-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.34
Rot. Bonds2

About 4-[2-(disulfanyl)propan-2-yl]piperidine

4-[2-(disulfanyl)propan-2-yl]piperidine (PubChem CID 129273648) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 4-[2-(disulfanyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name4-[2-(disulfanyl)propan-2-yl]piperidine
PubChem CID129273648
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name4-[2-(disulfanyl)propan-2-yl]piperidine
SMILESCC(C)(SS)C1CCNCC1
InChIInChI=1S/C8H17NS2/c1-8(2,11-10)7-3-5-9-6-4-7/h7,9-10H,3-6H2,1-2H3
InChIKeyCDDVRGKLFBVUFC-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(disulfanyl)propan-2-yl]piperidine 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

1-[2-(disulfanyl)propan-2-yl]-4-ethylcyclohexane
CID 170073695
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058491
4-(2,3,3-trimethylpentan-2-yl)piperidine
CID 142407783
5-tert-butyl-1,4-diazepane
CID 167270425
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
4-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
CID 146180746
N,N,2-trimethyl-2-piperidin-4-ylpropan-1-amine;dihydrochloride
CID 119031198
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585

Frequently Asked Questions

What is the IUPAC name of 4-[2-(disulfanyl)propan-2-yl]piperidine?
The IUPAC name of 4-[2-(disulfanyl)propan-2-yl]piperidine (CID 129273648) is 4-[2-(disulfanyl)propan-2-yl]piperidine.
What is the SMILES notation for 4-[2-(disulfanyl)propan-2-yl]piperidine?
The canonical SMILES for 4-[2-(disulfanyl)propan-2-yl]piperidine is CC(C)(SS)C1CCNCC1.
What is the InChIKey of 4-[2-(disulfanyl)propan-2-yl]piperidine?
The InChIKey is CDDVRGKLFBVUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-8(2,11-10)7-3-5-9-6-4-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 4-[2-(disulfanyl)propan-2-yl]piperidine?
4-[2-(disulfanyl)propan-2-yl]piperidine has a molecular weight of 191.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(disulfanyl)propan-2-yl]piperidine is sourced from PubChem (CID 129273648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).