N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2O2S — CID 43778677

IUPACN-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-20(18,19)8-4-11/h10-11,16H,1-9H2
InChIKeyLDOLIBPGMQXUNX-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.18
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43778677) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43778677
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC NameN-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESO=S1(=O)CCC(NC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-20(18,19)8-4-11/h10-11,16H,1-9H2
InChIKeyLDOLIBPGMQXUNX-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperidin-4-YL)thiomorpholine 1,1-dioxide dihydrochloride
CID 71758395
4-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 75523909
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfonylcyclohexan-1-amine
CID 163946893
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
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 43753172
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 43777379
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43778677) is N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is O=S1(=O)CCC(NC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LDOLIBPGMQXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c13-12(14,15)9-17-5-1-10(2-6-17)16-11-3-7-20(18,19)8-4-11/h10-11,16H,1-9H2.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 314.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43778677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).