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

C19H31N3O2S — CID 129279684

IUPACN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2S/c1-15(2)25(23,24)20-10-13-22-11-8-17(9-12-22)21-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-21H,8-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyPCUFVSHGTHPWDD-RBUKOAKNSA-N
MW365.54 g/mol
LogP1.92
Rot. Bonds8

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

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide (PubChem CID 129279684) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide
PubChem CID129279684
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2S/c1-15(2)25(23,24)20-10-13-22-11-8-17(9-12-22)21-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-21H,8-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyPCUFVSHGTHPWDD-RBUKOAKNSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
N-((3R,4R)-4-(2''-fluorobiphenyl-4-yl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11610515
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
US10233152, Example 41
CID 129279605
US10233152, Example 128
CID 129279609
US9994546, Example 101
CID 118297947
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide (CID 129279684) is N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide is CC(C)S(=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]propane-2-sulfonamide?
The InChIKey is PCUFVSHGTHPWDD-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-15(2)25(23,24)20-10-13-22-11-8-17(9-12-22)21-19-14-18(19)16-6-4-3-5-7-16/h3-7,15,17-21H,8-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide?
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]propane-2-sulfonamide has a molecular weight of 365.54 g/mol, XLogP of 1.92, 8 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]propane-2-sulfonamide is sourced from PubChem (CID 129279684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).