N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

C11H21F3N2O2S — CID 83058659

IUPACN,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-10(15-2)5-7-16(8-6-10)19(17,18)9-3-4-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyGFYSKSKOOGPXMT-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds5

About N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (PubChem CID 83058659) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
PubChem CID83058659
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c1-10(15-2)5-7-16(8-6-10)19(17,18)9-3-4-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyGFYSKSKOOGPXMT-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (CID 83058659) is N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is CNC1(C)CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The InChIKey is GFYSKSKOOGPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-10(15-2)5-7-16(8-6-10)19(17,18)9-3-4-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 83058659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).