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

C17H27N3O2S — CID 129279834

IUPACN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-23(21,22)18-9-12-20-10-7-15(8-11-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyFTTOCGMZTPIGBM-DLBZAZTESA-N
MW337.49 g/mol
LogP1.15
Rot. Bonds7

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

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 129279834) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID129279834
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-23(21,22)18-9-12-20-10-7-15(8-11-20)19-17-13-16(17)14-5-3-2-4-6-14/h2-6,15-19H,7-13H2,1H3/t16-,17+/m0/s1
InChIKeyFTTOCGMZTPIGBM-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide (CID 129279834) is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is FTTOCGMZTPIGBM-DLBZAZTESA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-23(21,22)18-9-12-20-10-7-15(8-11-20)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-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide 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-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 129279834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).