1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

C16H23N3O2S3 — CID 71800900

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-3-14-4-5-15(23-14)24(20,21)19-9-6-13(7-10-19)12-22-16-17-8-11-18(16)2/h4-5,8,11,13H,3,6-7,9-10,12H2,1-2H3
InChIKeyDKCNXKSYXVMODZ-UHFFFAOYSA-N
MW385.58 g/mol
LogP3.24
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (PubChem CID 71800900) has the molecular formula C16H23N3O2S3 and a molecular weight of 385.58 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
PubChem CID71800900
Molecular FormulaC16H23N3O2S3
Molecular Weight385.58 g/mol
Exact Mass385.10
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-3-14-4-5-15(23-14)24(20,21)19-9-6-13(7-10-19)12-22-16-17-8-11-18(16)2/h4-5,8,11,13H,3,6-7,9-10,12H2,1-2H3
InChIKeyDKCNXKSYXVMODZ-UHFFFAOYSA-N
XLogP3.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (CID 71800900) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is CCc1ccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The InChIKey is DKCNXKSYXVMODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S3/c1-3-14-4-5-15(23-14)24(20,21)19-9-6-13(7-10-19)12-22-16-17-8-11-18(16)2/h4-5,8,11,13H,3,6-7,9-10,12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine has a molecular weight of 385.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is sourced from PubChem (CID 71800900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).