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

C16H23BrN2O3S2 — CID 4670477

IUPAC[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1
InChIInChI=1S/C16H23BrN2O3S2/c1-12-4-8-18(9-5-12)16(20)13-6-10-19(11-7-13)24(21,22)15-3-2-14(17)23-15/h2-3,12-13H,4-11H2,1H3
InChIKeySAIYHBHAPHPRQT-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.17
Rot. Bonds3

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

[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 4670477) has the molecular formula C16H23BrN2O3S2 and a molecular weight of 435.41 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID4670477
Molecular FormulaC16H23BrN2O3S2
Molecular Weight435.41 g/mol
Exact Mass434.03
IUPAC Name[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1
InChIInChI=1S/C16H23BrN2O3S2/c1-12-4-8-18(9-5-12)16(20)13-6-10-19(11-7-13)24(21,22)15-3-2-14(17)23-15/h2-3,12-13H,4-11H2,1H3
InChIKeySAIYHBHAPHPRQT-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 16319568
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 2091610
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
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4342607
(3,5-Dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4670692
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
Piperidin-1-yl[1-(thiophen-2-ylsulfonyl)piperidin-4-yl]methanone
CID 4605989
Ethyl 4-({1-[(5-bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine-1-carboxylate
CID 3242110
1-(4,5-Dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 45488382
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-3-yl}carbonyl)azepane
CID 3242607
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 3317218

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 4670477) is [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SAIYHBHAPHPRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S2/c1-12-4-8-18(9-5-12)16(20)13-6-10-19(11-7-13)24(21,22)15-3-2-14(17)23-15/h2-3,12-13H,4-11H2,1H3.
What are the key properties of [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 435.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4670477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).