(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H13ClN2O3S2 — CID 1246200

IUPAC(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c1-18(15,16)13-6-4-12(5-7-13)10(14)8-2-3-9(11)17-8/h2-3H,4-7H2,1H3
InChIKeyBUDPMPLRCIFFKS-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.12
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 1246200) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID1246200
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN2O3S2/c1-18(15,16)13-6-4-12(5-7-13)10(14)8-2-3-9(11)17-8/h2-3H,4-7H2,1H3
InChIKeyBUDPMPLRCIFFKS-UHFFFAOYSA-N
XLogP1.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 1246200) is (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is BUDPMPLRCIFFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c1-18(15,16)13-6-4-12(5-7-13)10(14)8-2-3-9(11)17-8/h2-3H,4-7H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 308.81 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).