cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C14H20N2O3S2 — CID 17403397

IUPACcyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C14H20N2O3S2/c1-11-5-6-13(20-11)21(18,19)16-9-7-15(8-10-16)14(17)12-3-2-4-12/h5-6,12H,2-4,7-10H2,1H3
InChIKeyXZGWTEGHFPTYAK-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.69
Rot. Bonds3

About cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17403397) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID17403397
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Namecyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C14H20N2O3S2/c1-11-5-6-13(20-11)21(18,19)16-9-7-15(8-10-16)14(17)12-3-2-4-12/h5-6,12H,2-4,7-10H2,1H3
InChIKeyXZGWTEGHFPTYAK-UHFFFAOYSA-N
XLogP1.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 17403397) is cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)s1.
What is the InChIKey of cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is XZGWTEGHFPTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-11-5-6-13(20-11)21(18,19)16-9-7-15(8-10-16)14(17)12-3-2-4-12/h5-6,12H,2-4,7-10H2,1H3.
What are the key properties of cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17403397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).