(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

C14H21N3O3S2 — CID 1258912

IUPAC(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H21N3O3S2/c18-14(13-5-4-12-21-13)15-8-10-17(11-9-15)22(19,20)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2
InChIKeyXXFHBAUGAYJFKR-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.24
Rot. Bonds3

About (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 1258912) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID1258912
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H21N3O3S2/c18-14(13-5-4-12-21-13)15-8-10-17(11-9-15)22(19,20)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2
InChIKeyXXFHBAUGAYJFKR-UHFFFAOYSA-N
XLogP1.24
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 1258912) is (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is XXFHBAUGAYJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c18-14(13-5-4-12-21-13)15-8-10-17(11-9-15)22(19,20)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2.
What are the key properties of (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 343.47 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1258912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).