N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine

C8H16FNO2S — CID 130611592

IUPACN-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine
SMILESCN(CCF)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-10(5-4-9)8-2-6-13(11,12)7-3-8/h8H,2-7H2,1H3
InChIKeyNNLHQXLEZFDOAO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds3

About N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine

N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine (PubChem CID 130611592) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine
PubChem CID130611592
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC NameN-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine
SMILESCN(CCF)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-10(5-4-9)8-2-6-13(11,12)7-3-8/h8H,2-7H2,1H3
InChIKeyNNLHQXLEZFDOAO-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 145167721
4-Propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 166955921
1,2-Dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269182
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634
4-[(But-2-yn-1-yl)(methyl)amino]-1lambda6-thiane-1,1-dione
CID 91643804
N-(3-fluoropropyl)-1,1-dioxothian-4-amine
CID 81106682
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 126779091
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
4-(2,2-Difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 127013294
(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348666
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine (CID 130611592) is N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine is CN(CCF)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is NNLHQXLEZFDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-10(5-4-9)8-2-6-13(11,12)7-3-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine?
N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 209.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 130611592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).