cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate

C16H22BrNO4S2 — CID 18229033

IUPACcyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H22BrNO4S2/c17-14-6-7-15(23-14)24(20,21)18-10-8-12(9-11-18)16(19)22-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyGHMRIAYWTVBOEH-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.79
Rot. Bonds4

About cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate

cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 18229033) has the molecular formula C16H22BrNO4S2 and a molecular weight of 436.39 g/mol. Its IUPAC name is cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
PubChem CID18229033
Molecular FormulaC16H22BrNO4S2
Molecular Weight436.39 g/mol
Exact Mass435.02
IUPAC Namecyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H22BrNO4S2/c17-14-6-7-15(23-14)24(20,21)18-10-8-12(9-11-18)16(19)22-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyGHMRIAYWTVBOEH-UHFFFAOYSA-N
XLogP3.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate (CID 18229033) is cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate is O=C(OC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is GHMRIAYWTVBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO4S2/c17-14-6-7-15(23-14)24(20,21)18-10-8-12(9-11-18)16(19)22-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2.
What are the key properties of cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate?
cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 436.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 18229033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).