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

C7H15NO2S — CID 134895453

IUPACN,N,2,2-tetramethyl-1,1-dioxothietan-3-amine
SMILESCN(C)C1CS(=O)(=O)C1(C)C
InChIInChI=1S/C7H15NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h6H,5H2,1-4H3
InChIKeyNEBLURGYGQKWSH-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.12
Rot. Bonds1

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

N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine (PubChem CID 134895453) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-1,1-dioxothietan-3-amine
PubChem CID134895453
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN,N,2,2-tetramethyl-1,1-dioxothietan-3-amine
SMILESCN(C)C1CS(=O)(=O)C1(C)C
InChIInChI=1S/C7H15NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h6H,5H2,1-4H3
InChIKeyNEBLURGYGQKWSH-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-3-(methylamino)-1lambda6-thietane-1,1-dione
CID 137963821
N,N-dimethyl-1,1-dioxothietan-3-amine
CID 86191540
N,N,2-trimethyl-1,1-dioxothietan-3-amine
CID 134895548
N,N,N,2,2-Pentamethyl-1,1-dioxo-1lambda~6~-thietan-3-aminium iodide
CID 24192478
3-Methylsulfonyl-1-propan-2-ylazetidine
CID 22896260
3-Tert-butylsulfonyl-1-methylazetidine
CID 59522773
1-Methyl-3-methylsulfonylazetidine
CID 60002558
6-Propan-2-yl-1lambda6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 68340550
6-Methyl-1lambda6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 90369892
3-Ethylsulfonyl-1-methylazetidine
CID 117890829
3-Ethylsulfonyl-1-propan-2-ylazetidine
CID 122414290
1,3-Dimethyl-3-methylsulfonylazetidine
CID 129023754

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine?
The IUPAC name of N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine (CID 134895453) is N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine is CN(C)C1CS(=O)(=O)C1(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine?
The InChIKey is NEBLURGYGQKWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)6(8(3)4)5-11(7,9)10/h6H,5H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine?
N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.12, 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-dioxothietan-3-amine is sourced from PubChem (CID 134895453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).