[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine

C12H23FN2O2S — CID 115051332

IUPAC[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H23FN2O2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-18(16,17)8-2-11/h11H,1-10,14H2
InChIKeyLZFNFGCLQJDAHD-UHFFFAOYSA-N
MW278.39 g/mol
LogP0.57
Rot. Bonds3

About [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine

[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine (PubChem CID 115051332) has the molecular formula C12H23FN2O2S and a molecular weight of 278.39 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine
PubChem CID115051332
Molecular FormulaC12H23FN2O2S
Molecular Weight278.39 g/mol
Exact Mass278.15
IUPAC Name[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C12H23FN2O2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-18(16,17)8-2-11/h11H,1-10,14H2
InChIKeyLZFNFGCLQJDAHD-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

3-Thia-9-azaspiro[5.5]undecane 3,3-dioxide hydrochloride
CID 119031871
3-Thia-9-azaspiro[5.5]undecane 3,3-dioxide
CID 63156497
1-(1,1-dioxothian-4-yl)-N-methyl-4-(trifluoromethyl)piperidin-4-amine
CID 170587372
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
[1,1-Dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 61562893
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521193
3,3,3-trifluoro-N-((1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814283
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105509017
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothian-3-amine
CID 105515164
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothian-4-amine
CID 105515165
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-3-amine
CID 105515166
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothian-4-amine
CID 105515167

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine (CID 115051332) is [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine is NCC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine?
The InChIKey is LZFNFGCLQJDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-18(16,17)8-2-11/h11H,1-10,14H2.
What are the key properties of [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine?
[1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine has a molecular weight of 278.39 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115051332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).