N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine

C11H22F2N2O2S — CID 55258000

IUPACN-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C11H22F2N2O2S/c1-3-6-14-9(2)10-5-4-7-15(8-10)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyDRGZBCVIWVYCCR-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.64
Rot. Bonds6

About N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 55258000) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
PubChem CID55258000
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC NameN-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C11H22F2N2O2S/c1-3-6-14-9(2)10-5-4-7-15(8-10)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyDRGZBCVIWVYCCR-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine (CID 55258000) is N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is DRGZBCVIWVYCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c1-3-6-14-9(2)10-5-4-7-15(8-10)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 284.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55258000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).