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

C18H29N3O2S — CID 129279605

IUPACN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyVHLYSAMXJQKDAV-CXRLMVSZSA-N
MW351.52 g/mol
LogP1.53
Rot. Bonds7

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

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide (PubChem CID 129279605) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
PubChem CID129279605
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide
SMILESCC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1
InChIKeyVHLYSAMXJQKDAV-CXRLMVSZSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide with MolForge

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Related Compounds

(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
[(1-Methyl-4-piperidinyl)methyl][trans-2-phenylcyclopropyl]amine
CID 66571590
N-(1-cyanopyrrolidin-3-yl)-4-phenylpiperidine-1-sulfonamide
CID 129187407
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
(2S)-2-butan-2-yl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641127
(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine
CID 23641140
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
N-(2-phenylpropyl)-1-propylpiperidin-4-amine
CID 2846253
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
US9994546, Example 101
CID 118297947

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide (CID 129279605) is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide is CC(CNS(C)(=O)=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
The InChIKey is VHLYSAMXJQKDAV-CXRLMVSZSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-14(13-19-24(2,22)23)21-10-8-16(9-11-21)20-18-12-17(18)15-6-4-3-5-7-15/h3-7,14,16-20H,8-13H2,1-2H3/t14?,17-,18+/m0/s1.
What are the key properties of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide?
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propyl]methanesulfonamide has a molecular weight of 351.52 g/mol, XLogP of 1.53, 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]propyl]methanesulfonamide is sourced from PubChem (CID 129279605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).