4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane

C15H28F2N2O2S — CID 167049538

IUPAC4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane
SMILESCCC1(CC)CC(N(CC2CCC(F)(F)CC2)S(N)(=O)=O)C1
InChIInChI=1S/C15H28F2N2O2S/c1-3-14(4-2)9-13(10-14)19(22(18,20)21)11-12-5-7-15(16,17)8-6-12/h12-13H,3-11H2,1-2H3,(H2,18,20,21)
InChIKeyUSCOFILLZQXRHV-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.29
Rot. Bonds6

About 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane

4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane (PubChem CID 167049538) has the molecular formula C15H28F2N2O2S and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane
PubChem CID167049538
Molecular FormulaC15H28F2N2O2S
Molecular Weight338.46 g/mol
Exact Mass338.18
IUPAC Name4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane
SMILESCCC1(CC)CC(N(CC2CCC(F)(F)CC2)S(N)(=O)=O)C1
InChIInChI=1S/C15H28F2N2O2S/c1-3-14(4-2)9-13(10-14)19(22(18,20)21)11-12-5-7-15(16,17)8-6-12/h12-13H,3-11H2,1-2H3,(H2,18,20,21)
InChIKeyUSCOFILLZQXRHV-UHFFFAOYSA-N
XLogP3.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane?
The IUPAC name of 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane (CID 167049538) is 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane.
What is the SMILES notation for 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane?
The canonical SMILES for 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane is CCC1(CC)CC(N(CC2CCC(F)(F)CC2)S(N)(=O)=O)C1.
What is the InChIKey of 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane?
The InChIKey is USCOFILLZQXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2S/c1-3-14(4-2)9-13(10-14)19(22(18,20)21)11-12-5-7-15(16,17)8-6-12/h12-13H,3-11H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane?
4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane has a molecular weight of 338.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-diethylcyclobutyl)-sulfamoylamino]methyl]-1,1-difluorocyclohexane is sourced from PubChem (CID 167049538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).