[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C20H30BrN3O3S2 — CID 4670839

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30BrN3O3S2/c21-18-6-7-19(28-18)29(26,27)24-10-8-16(9-11-24)20(25)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h6-7,16-17H,1-5,8-15H2
InChIKeyRAHCKECIYKCEPV-UHFFFAOYSA-N
MW504.52 g/mol
LogP3.39
Rot. Bonds4

About [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 4670839) has the molecular formula C20H30BrN3O3S2 and a molecular weight of 504.52 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID4670839
Molecular FormulaC20H30BrN3O3S2
Molecular Weight504.52 g/mol
Exact Mass503.09
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30BrN3O3S2/c21-18-6-7-19(28-18)29(26,27)24-10-8-16(9-11-24)20(25)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h6-7,16-17H,1-5,8-15H2
InChIKeyRAHCKECIYKCEPV-UHFFFAOYSA-N
XLogP3.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone 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

2-[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 16319568
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
Ethyl 4-({1-[(5-bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine-1-carboxylate
CID 3242110
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
N-[2-(1,4'-bipiperidin-1'-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 3237741
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-cyclohexylacetamide
CID 16309601
2-[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 16312813
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 16312814
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 16312924
5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5083157

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 4670839) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is RAHCKECIYKCEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O3S2/c21-18-6-7-19(28-18)29(26,27)24-10-8-16(9-11-24)20(25)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h6-7,16-17H,1-5,8-15H2.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 504.52 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 4670839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).