N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine

C7H13NO2S — CID 86178819

IUPACN,N,2,2-tetramethyl-1,1-dioxothiet-3-amine
SMILESCN(C)C1=CS(=O)(=O)C1(C)C
InChIInChI=1S/C7H13NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h5H,1-4H3
InChIKeyCNHQCHDKCRSGCL-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds1

About N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine

N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine (PubChem CID 86178819) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-1,1-dioxothiet-3-amine
PubChem CID86178819
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN,N,2,2-tetramethyl-1,1-dioxothiet-3-amine
SMILESCN(C)C1=CS(=O)(=O)C1(C)C
InChIInChI=1S/C7H13NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h5H,1-4H3
InChIKeyCNHQCHDKCRSGCL-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine?
The IUPAC name of N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine (CID 86178819) is N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine?
The canonical SMILES for N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine is CN(C)C1=CS(=O)(=O)C1(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine?
The InChIKey is CNHQCHDKCRSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h5H,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine?
N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine has a molecular weight of 175.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine is sourced from PubChem (CID 86178819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).