1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

C12H25N3O3S — CID 80553835

IUPAC1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCOCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H25N3O3S/c1-18-8-9-19(16,17)15-7-4-12(10-15)14-5-2-11(13)3-6-14/h11-12H,2-10,13H2,1H3
InChIKeyUJFOEPLUAKYYRD-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.54
Rot. Bonds5

About 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553835) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553835
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCOCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C12H25N3O3S/c1-18-8-9-19(16,17)15-7-4-12(10-15)14-5-2-11(13)3-6-14/h11-12H,2-10,13H2,1H3
InChIKeyUJFOEPLUAKYYRD-UHFFFAOYSA-N
XLogP-0.54
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553835) is 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is COCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is UJFOEPLUAKYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-18-8-9-19(16,17)15-7-4-12(10-15)14-5-2-11(13)3-6-14/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).