2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide

C10H17N3OS2 — CID 13335495

IUPAC2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide
SMILESCN(C)C(=O)C1(C#N)SCC(N(C)C)CS1
InChIInChI=1S/C10H17N3OS2/c1-12(2)8-5-15-10(7-11,16-6-8)9(14)13(3)4/h8H,5-6H2,1-4H3
InChIKeyZCSWWYCPBJSZEG-UHFFFAOYSA-N
MW259.40 g/mol
LogP0.70
Rot. Bonds2

About 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide

2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide (PubChem CID 13335495) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide.

Molecular Properties

Compound Name2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide
PubChem CID13335495
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide
SMILESCN(C)C(=O)C1(C#N)SCC(N(C)C)CS1
InChIInChI=1S/C10H17N3OS2/c1-12(2)8-5-15-10(7-11,16-6-8)9(14)13(3)4/h8H,5-6H2,1-4H3
InChIKeyZCSWWYCPBJSZEG-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide?
The IUPAC name of 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide (CID 13335495) is 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide.
What is the SMILES notation for 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide?
The canonical SMILES for 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide is CN(C)C(=O)C1(C#N)SCC(N(C)C)CS1.
What is the InChIKey of 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide?
The InChIKey is ZCSWWYCPBJSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-12(2)8-5-15-10(7-11,16-6-8)9(14)13(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide?
2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide has a molecular weight of 259.40 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(dimethylamino)-N,N-dimethyl-1,3-dithiane-2-carboxamide is sourced from PubChem (CID 13335495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).