3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine

C10H20FNO2S — CID 105499498

IUPAC3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(F)CC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20FNO2S/c1-10(11,8-12-2)7-9-3-5-15(13,14)6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyBGRUYGSTFZFECP-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.15
Rot. Bonds4

About 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine

3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine (PubChem CID 105499498) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine
PubChem CID105499498
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(F)CC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20FNO2S/c1-10(11,8-12-2)7-9-3-5-15(13,14)6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyBGRUYGSTFZFECP-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
4-(4-fluoro-4-methylcyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 144300293
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
4-(Fluoromethyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
CID 71306082
4-[1-(2-Fluoroethylsulfonyl)ethyl]piperidine
CID 84020121
3-[2-(Fluoromethylsulfonyl)ethyl]piperidine
CID 84722924
4-[2-(Fluoromethylsulfonyl)ethyl]piperidine
CID 84722925
1-(4,4-difluorocyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 105152675
4-(3-Fluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426913
4-(3,3-Difluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426914
4-Fluoro-3-(methylsulfonylmethyl)piperidine
CID 105449119

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine (CID 105499498) is 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine is CNCC(C)(F)CC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The InChIKey is BGRUYGSTFZFECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-10(11,8-12-2)7-9-3-5-15(13,14)6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-2-fluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 105499498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).