2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol

C12H26N2S2 — CID 134388698

IUPAC2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol
SMILESCC1(C)CC(N(S)C(C)(C)S)CC(C)(C)N1
InChIInChI=1S/C12H26N2S2/c1-10(2)7-9(8-11(3,4)13-10)14(16)12(5,6)15/h9,13,15-16H,7-8H2,1-6H3
InChIKeySNOMIIYZEDSEDS-UHFFFAOYSA-N
MW262.49 g/mol
LogP3.11
Rot. Bonds2

About 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol

2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol (PubChem CID 134388698) has the molecular formula C12H26N2S2 and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol.

Molecular Properties

Compound Name2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol
PubChem CID134388698
Molecular FormulaC12H26N2S2
Molecular Weight262.49 g/mol
Exact Mass262.15
IUPAC Name2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol
SMILESCC1(C)CC(N(S)C(C)(C)S)CC(C)(C)N1
InChIInChI=1S/C12H26N2S2/c1-10(2)7-9(8-11(3,4)13-10)14(16)12(5,6)15/h9,13,15-16H,7-8H2,1-6H3
InChIKeySNOMIIYZEDSEDS-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol?
The IUPAC name of 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol (CID 134388698) is 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol.
What is the SMILES notation for 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol?
The canonical SMILES for 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol is CC1(C)CC(N(S)C(C)(C)S)CC(C)(C)N1.
What is the InChIKey of 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol?
The InChIKey is SNOMIIYZEDSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S2/c1-10(2)7-9(8-11(3,4)13-10)14(16)12(5,6)15/h9,13,15-16H,7-8H2,1-6H3.
What are the key properties of 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol?
2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol has a molecular weight of 262.49 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[sulfanyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propane-2-thiol is sourced from PubChem (CID 134388698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).