N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide

C17H27N3O2S — CID 129279609

IUPACN-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-18-23(21,22)12-11-20-9-7-15(8-10-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyZIRYUXNHDLWQAY-DLBZAZTESA-N
MW337.49 g/mol
LogP1.15
Rot. Bonds7

About N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide

N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide (PubChem CID 129279609) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide
PubChem CID129279609
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide
SMILESCNS(=O)(=O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-18-23(21,22)12-11-20-9-7-15(8-10-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyZIRYUXNHDLWQAY-DLBZAZTESA-N
XLogP1.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-2-methylpropane-1-sulfonamide
CID 14107025
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-(1-benzylpiperidin-4-yl)methanesulfonamide
CID 669036
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
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
US10233152, Example 60
CID 129279668
4-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360663

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide (CID 129279609) is N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide is CNS(=O)(=O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide?
The InChIKey is ZIRYUXNHDLWQAY-DLBZAZTESA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18-23(21,22)12-11-20-9-7-15(8-10-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide?
N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 129279609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).