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

C6H13NO2S — CID 134895548

IUPACN,N,2-trimethyl-1,1-dioxothietan-3-amine
SMILESCC1C(N(C)C)CS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(7(2)3)4-10(5,8)9/h5-6H,4H2,1-3H3
InChIKeyBSGMQACUAOMEKL-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.27
Rot. Bonds1

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

N,N,2-trimethyl-1,1-dioxothietan-3-amine (PubChem CID 134895548) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N,N,2-trimethyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1,1-dioxothietan-3-amine
PubChem CID134895548
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN,N,2-trimethyl-1,1-dioxothietan-3-amine
SMILESCC1C(N(C)C)CS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(7(2)3)4-10(5,8)9/h5-6H,4H2,1-3H3
InChIKeyBSGMQACUAOMEKL-UHFFFAOYSA-N
XLogP-0.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
CID 2831166
3-Fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831350
(1,1-Dioxothietan-3-yl)-(2-fluoroethyl)-dimethylazanium
CID 178137021
N,N-dimethyl-1,1-dioxothietan-3-amine
CID 86191540
N,N,2,2-tetramethyl-1,1-dioxothietan-3-amine
CID 134895453
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
N,N,N-trimethyltetrahydrothiophen-3-aminium 1,1-dioxide
CID 414711
N,N,N,2,2-Pentamethyl-1,1-dioxo-1lambda~6~-thietan-3-aminium iodide
CID 24192478
3-(Dimethylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 52997270
(3R)-N,N-dimethyl-1,1-dioxothiolan-3-amine
CID 7211724
(3S)-N,N-dimethyl-1,1-dioxothiolan-3-amine
CID 7211727
N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
CID 21034304

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1,1-dioxothietan-3-amine?
The IUPAC name of N,N,2-trimethyl-1,1-dioxothietan-3-amine (CID 134895548) is N,N,2-trimethyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N,N,2-trimethyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N,N,2-trimethyl-1,1-dioxothietan-3-amine is CC1C(N(C)C)CS1(=O)=O.
What is the InChIKey of N,N,2-trimethyl-1,1-dioxothietan-3-amine?
The InChIKey is BSGMQACUAOMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-6(7(2)3)4-10(5,8)9/h5-6H,4H2,1-3H3.
What are the key properties of N,N,2-trimethyl-1,1-dioxothietan-3-amine?
N,N,2-trimethyl-1,1-dioxothietan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 134895548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).