(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

C20H31N3O3S2 — CID 3243083

IUPAC(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3S2/c24-20(22-13-11-21(12-14-22)18-7-2-1-3-8-18)17-6-4-10-23(16-17)28(25,26)19-9-5-15-27-19/h5,9,15,17-18H,1-4,6-8,10-14,16H2
InChIKeyWHTIKEJXRIIBPS-UHFFFAOYSA-N
MW425.62 g/mol
LogP2.63
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 3243083) has the molecular formula C20H31N3O3S2 and a molecular weight of 425.62 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID3243083
Molecular FormulaC20H31N3O3S2
Molecular Weight425.62 g/mol
Exact Mass425.18
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3S2/c24-20(22-13-11-21(12-14-22)18-7-2-1-3-8-18)17-6-4-10-23(16-17)28(25,26)19-9-5-15-27-19/h5,9,15,17-18H,1-4,6-8,10-14,16H2
InChIKeyWHTIKEJXRIIBPS-UHFFFAOYSA-N
XLogP2.63
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (CID 3243083) is (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is WHTIKEJXRIIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S2/c24-20(22-13-11-21(12-14-22)18-7-2-1-3-8-18)17-6-4-10-23(16-17)28(25,26)19-9-5-15-27-19/h5,9,15,17-18H,1-4,6-8,10-14,16H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 425.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 3243083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).