5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine

C13H21N3O2S2 — CID 61299021

IUPAC5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C13H21N3O2S2/c14-11-8-13(19-10-11)20(17,18)16-7-3-4-12(9-16)15-5-1-2-6-15/h8,10,12H,1-7,9,14H2
InChIKeyLBFHQTXLOPOQCT-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.58
Rot. Bonds3

About 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine

5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine (PubChem CID 61299021) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine
PubChem CID61299021
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC(N3CCCC3)C2)c1
InChIInChI=1S/C13H21N3O2S2/c14-11-8-13(19-10-11)20(17,18)16-7-3-4-12(9-16)15-5-1-2-6-15/h8,10,12H,1-7,9,14H2
InChIKeyLBFHQTXLOPOQCT-UHFFFAOYSA-N
XLogP1.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine (CID 61299021) is 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine is Nc1csc(S(=O)(=O)N2CCCC(N3CCCC3)C2)c1.
What is the InChIKey of 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is LBFHQTXLOPOQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c14-11-8-13(19-10-11)20(17,18)16-7-3-4-12(9-16)15-5-1-2-6-15/h8,10,12H,1-7,9,14H2.
What are the key properties of 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine?
5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 315.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylpiperidin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 61299021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).