(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

C14H20N2O3S2 — CID 136538916

IUPAC(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCN(c3cccs3)CC2)CCC1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)14(5-3-6-14)13(17)16-9-7-15(8-10-16)12-4-2-11-20-12/h2,4,11H,3,5-10H2,1H3
InChIKeyXLYMOSDNPHGAHE-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.36
Rot. Bonds3

About (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 136538916) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID136538916
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCN(c3cccs3)CC2)CCC1
InChIInChI=1S/C14H20N2O3S2/c1-21(18,19)14(5-3-6-14)13(17)16-9-7-15(8-10-16)12-4-2-11-20-12/h2,4,11H,3,5-10H2,1H3
InChIKeyXLYMOSDNPHGAHE-UHFFFAOYSA-N
XLogP1.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119894828
[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 122143430
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
CID 86876283
(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 126793221
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
(3-aminocyclopentyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894779
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
CID 75379101
2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidine
CID 138708345
2,4-dimethyl-5-[3-oxo-3-(4-thiophen-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-6-one
CID 136514367

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (CID 136538916) is (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is CS(=O)(=O)C1(C(=O)N2CCN(c3cccs3)CC2)CCC1.
What is the InChIKey of (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is XLYMOSDNPHGAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-21(18,19)14(5-3-6-14)13(17)16-9-7-15(8-10-16)12-4-2-11-20-12/h2,4,11H,3,5-10H2,1H3.
What are the key properties of (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136538916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).