1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine

C13H21N3O4S3 — CID 131896497

IUPAC1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1csc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C13H21N3O4S3/c1-12-10-13(21-11-12)22(17,18)14-6-8-16(9-7-14)23(19,20)15-4-2-3-5-15/h10-11H,2-9H2,1H3
InChIKeyRHFVQVZEZWRLGZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP0.70
Rot. Bonds4

About 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine

1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 131896497) has the molecular formula C13H21N3O4S3 and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID131896497
Molecular FormulaC13H21N3O4S3
Molecular Weight379.53 g/mol
Exact Mass379.07
IUPAC Name1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1csc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C13H21N3O4S3/c1-12-10-13(21-11-12)22(17,18)14-6-8-16(9-7-14)23(19,20)15-4-2-3-5-15/h10-11H,2-9H2,1H3
InChIKeyRHFVQVZEZWRLGZ-UHFFFAOYSA-N
XLogP0.70
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine (CID 131896497) is 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine is Cc1csc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is RHFVQVZEZWRLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S3/c1-12-10-13(21-11-12)22(17,18)14-6-8-16(9-7-14)23(19,20)15-4-2-3-5-15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine?
1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 379.53 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 131896497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).