N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide

C6H13NO2S — CID 2831166

IUPACN,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3
InChIKeyHHOQXOUQXSMWDD-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.20
Rot. Bonds1

About N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide

N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide (PubChem CID 2831166) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N,N-dimethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
PubChem CID2831166
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN,N-dimethyl-1,1-dioxothiolan-3-amine
SMILESCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3
InChIKeyHHOQXOUQXSMWDD-UHFFFAOYSA-N
XLogP-0.20
TPSA45.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide?
The IUPAC name of N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide (CID 2831166) is N,N-dimethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide?
The canonical SMILES for N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide is CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide?
The InChIKey is HHOQXOUQXSMWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3.
What are the key properties of N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide?
N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide is sourced from PubChem (CID 2831166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).