(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C17H26N2O3S2 — CID 4670692

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C17H26N2O3S2/c1-13-10-14(2)12-18(11-13)17(20)15-5-7-19(8-6-15)24(21,22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeySNISWFONGJLMFR-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.65
Rot. Bonds3

About (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 4670692) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID4670692
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C17H26N2O3S2/c1-13-10-14(2)12-18(11-13)17(20)15-5-7-19(8-6-15)24(21,22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeySNISWFONGJLMFR-UHFFFAOYSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4387660
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 2091610
1-{[1-(Thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}azepane
CID 3244621
Ethyl 1-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperidine-3-carboxylate
CID 3245147
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-cyclohexyl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330102
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
(1-(Thiophen-2-ylsulfonyl)piperidin-4-yl)(3-(trifluoromethyl)piperidin-1-yl)methanone
CID 2927682
1-Cyclohexyl-4-{[1-(thien-2-ylsulfonyl)piperidin-3-yl]carbonyl}piperazine
CID 3243083
1-[4-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 6465278

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 4670692) is (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is CC1CC(C)CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is SNISWFONGJLMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-13-10-14(2)12-18(11-13)17(20)15-5-7-19(8-6-15)24(21,22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 370.54 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 4670692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).