[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide

C16H22F2N2O2S — CID 138027708

IUPAC[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)14(15(16)13-4-2-1-3-5-13)10-20-8-6-12(7-9-20)11-23(19,21)22/h1-5,12,14-15H,6-11H2,(H2,19,21,22)/t14-,15-/m1/s1
InChIKeyONZIOMQAWVMJAM-HUUCEWRRSA-N
MW344.43 g/mol
LogP2.04
Rot. Bonds5

About [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide

[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 138027708) has the molecular formula C16H22F2N2O2S and a molecular weight of 344.43 g/mol. Its IUPAC name is [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID138027708
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)14(15(16)13-4-2-1-3-5-13)10-20-8-6-12(7-9-20)11-23(19,21)22/h1-5,12,14-15H,6-11H2,(H2,19,21,22)/t14-,15-/m1/s1
InChIKeyONZIOMQAWVMJAM-HUUCEWRRSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
4-Benzyl-1-(2-phenylethylsulfonyl)piperidine
CID 71699220
N-((4-fluoro-1-(piperidin-4-yl-methyl)sulfonyl)piperidin-4-yl) methyl)-trans-2-phenylcyclo-propylamine
CID 130453449
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
4-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360663
N-methyl-N-(2-phenylethyl)-1-[(2,2,2-trifluoroethyl)sulfonyl]piperidin-3-amine
CID 23723245
US10233152, Example 128
CID 129279609
US10233152, Example 39
CID 129279684
3-((4-Benzylpiperidin-1-yl)sulfonyl)pyrrolidine-1-carbonitrile
CID 137352862
1-[[3-(Trifluoromethyl)phenyl]methylsulfonyl]piperidine
CID 2738341

Frequently Asked Questions

What is the IUPAC name of [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide (CID 138027708) is [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(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]piperidin-4-yl]methanesulfonamide?
The InChIKey is ONZIOMQAWVMJAM-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22F2N2O2S/c17-16(18)14(15(16)13-4-2-1-3-5-13)10-20-8-6-12(7-9-20)11-23(19,21)22/h1-5,12,14-15H,6-11H2,(H2,19,21,22)/t14-,15-/m1/s1.
What are the key properties of [1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide?
[1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 344.43 g/mol, XLogP of 2.04, 5 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]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 138027708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).