(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

C16H18N2O3S2 — CID 1151563

IUPAC(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(15-7-4-12-22-15)17-8-10-18(11-9-17)23(20,21)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyDMEBEIADQVNHON-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.04
Rot. Bonds4

About (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 1151563) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID1151563
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(15-7-4-12-22-15)17-8-10-18(11-9-17)23(20,21)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyDMEBEIADQVNHON-UHFFFAOYSA-N
XLogP2.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 1151563) is (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is DMEBEIADQVNHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(15-7-4-12-22-15)17-8-10-18(11-9-17)23(20,21)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 350.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1151563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).