N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

C10H20F2N2O2S — CID 55257246

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-2-6-13-8-9-5-3-4-7-14(9)17(15,16)10(11)12/h9-10,13H,2-8H2,1H3
InChIKeyQRIQVMRXUZNNRR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.39
Rot. Bonds6

About N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 55257246) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID55257246
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-2-6-13-8-9-5-3-4-7-14(9)17(15,16)10(11)12/h9-10,13H,2-8H2,1H3
InChIKeyQRIQVMRXUZNNRR-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (CID 55257246) is N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1S(=O)(=O)C(F)F.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is QRIQVMRXUZNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-2-6-13-8-9-5-3-4-7-14(9)17(15,16)10(11)12/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55257246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).