N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide

C23H31N3O3S — CID 146654383

IUPACN-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(N[C@@H]2C[C@H]2C2=CCCC=C2)CC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c27-23(25-30(28,29)20-9-5-2-6-10-20)13-16-26-14-11-19(12-15-26)24-22-17-21(22)18-7-3-1-4-8-18/h2-3,5-10,19,21-22,24H,1,4,11-17H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyIMUDDLBHSYNNGE-FCHUYYIVSA-N
MW429.59 g/mol
LogP2.60
Rot. Bonds8

About N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide

N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide (PubChem CID 146654383) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide
PubChem CID146654383
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(N[C@@H]2C[C@H]2C2=CCCC=C2)CC1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c27-23(25-30(28,29)20-9-5-2-6-10-20)13-16-26-14-11-19(12-15-26)24-22-17-21(22)18-7-3-1-4-8-18/h2-3,5-10,19,21-22,24H,1,4,11-17H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyIMUDDLBHSYNNGE-FCHUYYIVSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 129098167
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
N-(benzenesulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47347568
1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
CID 166380691
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
CID 129098249
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-[1-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 41470228

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide?
The IUPAC name of N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide (CID 146654383) is N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide is O=C(CCN1CCC(N[C@@H]2C[C@H]2C2=CCCC=C2)CC1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide?
The InChIKey is IMUDDLBHSYNNGE-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H31N3O3S/c27-23(25-30(28,29)20-9-5-2-6-10-20)13-16-26-14-11-19(12-15-26)24-22-17-21(22)18-7-3-1-4-8-18/h2-3,5-10,19,21-22,24H,1,4,11-17H2,(H,25,27)/t21-,22+/m0/s1.
What are the key properties of N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide?
N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide has a molecular weight of 429.59 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[4-[[(1R,2S)-2-cyclohexa-1,5-dien-1-ylcyclopropyl]amino]piperidin-1-yl]propanamide is sourced from PubChem (CID 146654383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).