[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone

C15H23N3O3S2 — CID 119755849

IUPAC[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)c(C)s1
InChIInChI=1S/C15H23N3O3S2/c1-11-9-14(12(2)22-11)23(20,21)18-7-5-17(6-8-18)15(19)13-3-4-16-10-13/h9,13,16H,3-8,10H2,1-2H3
InChIKeyYVKRHVRJLLVIGP-UHFFFAOYSA-N
MW357.50 g/mol
LogP0.81
Rot. Bonds3

About [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone

[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119755849) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119755849
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)c(C)s1
InChIInChI=1S/C15H23N3O3S2/c1-11-9-14(12(2)22-11)23(20,21)18-7-5-17(6-8-18)15(19)13-3-4-16-10-13/h9,13,16H,3-8,10H2,1-2H3
InChIKeyYVKRHVRJLLVIGP-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-(oxiran-2-yl)methanone
CID 154879885
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119685119
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119745421
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone
CID 119697373
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119687808
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62218191

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone (CID 119755849) is [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)C3CCNC3)CC2)c(C)s1.
What is the InChIKey of [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is YVKRHVRJLLVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11-9-14(12(2)22-11)23(20,21)18-7-5-17(6-8-18)15(19)13-3-4-16-10-13/h9,13,16H,3-8,10H2,1-2H3.
What are the key properties of [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119755849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).