1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine

C11H21FN2O2S — CID 115049254

IUPAC1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine
SMILESNC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21FN2O2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-17(15,16)8-2-10/h10H,1-9,13H2
InChIKeyOBKHCHRKWOBYPO-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.33
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine

1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine (PubChem CID 115049254) has the molecular formula C11H21FN2O2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine
PubChem CID115049254
Molecular FormulaC11H21FN2O2S
Molecular Weight264.37 g/mol
Exact Mass264.13
IUPAC Name1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine
SMILESNC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C11H21FN2O2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-17(15,16)8-2-10/h10H,1-9,13H2
InChIKeyOBKHCHRKWOBYPO-UHFFFAOYSA-N
XLogP0.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
[1,1-Dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 61562893
N-(1,1-dioxothian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63922326
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521170
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine (CID 115049254) is 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine is NC1(CF)CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine?
The InChIKey is OBKHCHRKWOBYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-17(15,16)8-2-10/h10H,1-9,13H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine?
1-(1,1-dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 0.33, 2 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-amine is sourced from PubChem (CID 115049254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).