1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide

C15H20F2N2O2S — CID 146138540

IUPAC1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1
InChIInChI=1S/C15H20F2N2O2S/c16-15(17)13(14(15)11-4-2-1-3-5-11)10-19-8-6-12(7-9-19)22(18,20)21/h1-5,12-14H,6-10H2,(H2,18,20,21)/t13-,14-/m1/s1
InChIKeyDXQQEDYCASSNAO-ZIAGYGMSSA-N
MW330.40 g/mol
LogP1.79
Rot. Bonds4

About 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide

1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide (PubChem CID 146138540) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide
PubChem CID146138540
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC Name1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1
InChIInChI=1S/C15H20F2N2O2S/c16-15(17)13(14(15)11-4-2-1-3-5-11)10-19-8-6-12(7-9-19)22(18,20)21/h1-5,12-14H,6-10H2,(H2,18,20,21)/t13-,14-/m1/s1
InChIKeyDXQQEDYCASSNAO-ZIAGYGMSSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
CID 129394187
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
1-benzylazetidine-3-sulfonamide
CID 137403810
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
1-[(1R,3S)-2,2-difluoro-3-phenylcyclopropyl]-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 136585401
1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide
CID 146138537
1-(3-phenylmethoxycyclobutyl)piperidine-4-sulfonamide;hydroiodide
CID 146138536
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62133228
1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
CID 77095627
1-(2-phenyloxolane-2-carbonyl)piperidine-4-sulfonamide
CID 136563445
1-(2-cyclopropyloxyethyl)piperidine-4-sulfonamide
CID 167991467

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide (CID 146138540) is 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide is NS(=O)(=O)C1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1.
What is the InChIKey of 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide?
The InChIKey is DXQQEDYCASSNAO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c16-15(17)13(14(15)11-4-2-1-3-5-11)10-19-8-6-12(7-9-19)22(18,20)21/h1-5,12-14H,6-10H2,(H2,18,20,21)/t13-,14-/m1/s1.
What are the key properties of 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide?
1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 146138540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).