(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde

C18H23NO3S — CID 71764115

IUPAC(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](C=O)[C@H](C3=CCCC3)C2)cc1
InChIInChI=1S/C18H23NO3S/c1-14-6-8-17(9-7-14)23(21,22)19-11-10-16(13-20)18(12-19)15-4-2-3-5-15/h4,6-9,13,16,18H,2-3,5,10-12H2,1H3/t16-,18-/m0/s1
InChIKeyMVCPIHVHLABKHJ-WMZOPIPTSA-N
MW333.45 g/mol
LogP2.93
Rot. Bonds4

About (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde

(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde (PubChem CID 71764115) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde
PubChem CID71764115
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](C=O)[C@H](C3=CCCC3)C2)cc1
InChIInChI=1S/C18H23NO3S/c1-14-6-8-17(9-7-14)23(21,22)19-11-10-16(13-20)18(12-19)15-4-2-3-5-15/h4,6-9,13,16,18H,2-3,5,10-12H2,1H3/t16-,18-/m0/s1
InChIKeyMVCPIHVHLABKHJ-WMZOPIPTSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde 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

Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
N-hydroxy-4-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]butanamide
CID 57394371
Ethyl 1-[(4-ethylphenyl)sulfonyl]-4-piperidinecarboxylate
CID 593546
Ethyl 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-4-piperidinecarboxylate
CID 1254423
5,5-Dimethyl-2-({1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,3-cyclohexanedione
CID 1477696
2-Cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2673930
N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
CID 142727599
4-(Piperidine-1-sulfonyl)benzaldehyde
CID 21051090
2-({1-[(4-Methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,3-cyclohexanedione
CID 1477695
Cyclopentyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2677512
Ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 3861154
Azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17447809

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde?
The IUPAC name of (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde (CID 71764115) is (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde.
What is the SMILES notation for (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde?
The canonical SMILES for (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde is Cc1ccc(S(=O)(=O)N2CC[C@@H](C=O)[C@H](C3=CCCC3)C2)cc1.
What is the InChIKey of (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde?
The InChIKey is MVCPIHVHLABKHJ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14-6-8-17(9-7-14)23(21,22)19-11-10-16(13-20)18(12-19)15-4-2-3-5-15/h4,6-9,13,16,18H,2-3,5,10-12H2,1H3/t16-,18-/m0/s1.
What are the key properties of (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde?
(3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde has a molecular weight of 333.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(cyclopenten-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde is sourced from PubChem (CID 71764115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).