[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone

C16H24N2O3S2 — CID 50777781

IUPAC[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C16H24N2O3S2/c1-13-5-9-18(10-6-13)23(20,21)15-11-14(12-22-15)16(19)17-7-3-2-4-8-17/h11-13H,2-10H2,1H3
InChIKeySLSFZIYCRRRBAB-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.79
Rot. Bonds3

About [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone

[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone (PubChem CID 50777781) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
PubChem CID50777781
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C16H24N2O3S2/c1-13-5-9-18(10-6-13)23(20,21)15-11-14(12-22-15)16(19)17-7-3-2-4-8-17/h11-13H,2-10H2,1H3
InChIKeySLSFZIYCRRRBAB-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50777628
N-[(4-methylphenyl)methyl]-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028335
N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
piperidin-1-yl-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-3-yl]methanone
CID 50777455
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53006795
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone (CID 50777781) is [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone is CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1.
What is the InChIKey of [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone?
The InChIKey is SLSFZIYCRRRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-13-5-9-18(10-6-13)23(20,21)15-11-14(12-22-15)16(19)17-7-3-2-4-8-17/h11-13H,2-10H2,1H3.
What are the key properties of [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone?
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone has a molecular weight of 356.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50777781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).