N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C14H22F2N2O3S — CID 84583924

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CC=CCC1
InChIInChI=1S/C14H22F2N2O3S/c15-14(16)22(20,21)18-8-6-11(7-9-18)10-17-13(19)12-4-2-1-3-5-12/h1-2,11-12,14H,3-10H2,(H,17,19)
InChIKeyNGPKFVLVGSGDQG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.72
Rot. Bonds5

About N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 84583924) has the molecular formula C14H22F2N2O3S and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID84583924
Molecular FormulaC14H22F2N2O3S
Molecular Weight336.40 g/mol
Exact Mass336.13
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CC=CCC1
InChIInChI=1S/C14H22F2N2O3S/c15-14(16)22(20,21)18-8-6-11(7-9-18)10-17-13(19)12-4-2-1-3-5-12/h1-2,11-12,14H,3-10H2,(H,17,19)
InChIKeyNGPKFVLVGSGDQG-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 84583924) is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)C1CC=CCC1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is NGPKFVLVGSGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3S/c15-14(16)22(20,21)18-8-6-11(7-9-18)10-17-13(19)12-4-2-1-3-5-12/h1-2,11-12,14H,3-10H2,(H,17,19).
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 84583924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).