1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine

C16H25N3O3S — CID 71929371

IUPAC1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
SMILESO=S(=O)(N1CCN(CC2CC2)CC1)N1CCCC1c1ccco1
InChIInChI=1S/C16H25N3O3S/c20-23(21,18-10-8-17(9-11-18)13-14-5-6-14)19-7-1-3-15(19)16-4-2-12-22-16/h2,4,12,14-15H,1,3,5-11,13H2
InChIKeySWAVDEKFOVTJLL-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.69
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine

1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine (PubChem CID 71929371) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
PubChem CID71929371
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
SMILESO=S(=O)(N1CCN(CC2CC2)CC1)N1CCCC1c1ccco1
InChIInChI=1S/C16H25N3O3S/c20-23(21,18-10-8-17(9-11-18)13-14-5-6-14)19-7-1-3-15(19)16-4-2-12-22-16/h2,4,12,14-15H,1,3,5-11,13H2
InChIKeySWAVDEKFOVTJLL-UHFFFAOYSA-N
XLogP1.69
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine (CID 71929371) is 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine is O=S(=O)(N1CCN(CC2CC2)CC1)N1CCCC1c1ccco1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine?
The InChIKey is SWAVDEKFOVTJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,18-10-8-17(9-11-18)13-14-5-6-14)19-7-1-3-15(19)16-4-2-12-22-16/h2,4,12,14-15H,1,3,5-11,13H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine?
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine has a molecular weight of 339.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine is sourced from PubChem (CID 71929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).