(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide

C11H19NO2S2 — CID 158082275

IUPAC(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSSCC(C)(C)C(=O)C1
InChIInChI=1S/C11H19NO2S2/c1-11(2)7-16-15-6-8(5-9(11)13)10(14)12(3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFNCGFQNOHGIEGD-QMMMGPOBSA-N
MW261.41 g/mol
LogP2.07
Rot. Bonds1

About (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide

(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide (PubChem CID 158082275) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide
PubChem CID158082275
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSSCC(C)(C)C(=O)C1
InChIInChI=1S/C11H19NO2S2/c1-11(2)7-16-15-6-8(5-9(11)13)10(14)12(3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFNCGFQNOHGIEGD-QMMMGPOBSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide?
The IUPAC name of (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide (CID 158082275) is (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide.
What is the SMILES notation for (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide?
The canonical SMILES for (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide is CN(C)C(=O)[C@@H]1CSSCC(C)(C)C(=O)C1.
What is the InChIKey of (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide?
The InChIKey is FNCGFQNOHGIEGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-11(2)7-16-15-6-8(5-9(11)13)10(14)12(3)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide?
(4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide has a molecular weight of 261.41 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N,7,7-tetramethyl-6-oxodithiocane-4-carboxamide is sourced from PubChem (CID 158082275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).