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

C14H17N3O3S2 — CID 110805245

IUPAC[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)s1
InChIInChI=1S/C14H17N3O3S2/c1-11-4-5-13(21-11)22(19,20)17-9-7-16(8-10-17)14(18)12-3-2-6-15-12/h2-6,15H,7-10H2,1H3
InChIKeyVVMUNTGHILHYST-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.53
Rot. Bonds3

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

[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 110805245) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID110805245
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)s1
InChIInChI=1S/C14H17N3O3S2/c1-11-4-5-13(21-11)22(19,20)17-9-7-16(8-10-17)14(18)12-3-2-6-15-12/h2-6,15H,7-10H2,1H3
InChIKeyVVMUNTGHILHYST-UHFFFAOYSA-N
XLogP1.53
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805349
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24682704
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805410
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33180759

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 110805245) is [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)s1.
What is the InChIKey of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is VVMUNTGHILHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-11-4-5-13(21-11)22(19,20)17-9-7-16(8-10-17)14(18)12-3-2-6-15-12/h2-6,15H,7-10H2,1H3.
What are the key properties of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 110805245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).