1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine

C11H23N3O2S — CID 63595516

IUPAC1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-10(12)11-4-8-14(9-5-11)17(15,16)13-6-2-3-7-13/h10-11H,2-9,12H2,1H3
InChIKeyQLENAEAURUXRDW-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.39
Rot. Bonds3

About 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine

1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 63595516) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
PubChem CID63595516
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-10(12)11-4-8-14(9-5-11)17(15,16)13-6-2-3-7-13/h10-11H,2-9,12H2,1H3
InChIKeyQLENAEAURUXRDW-UHFFFAOYSA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
1-[4-(1-chloroethyl)piperidin-1-yl]sulfonylazepane
CID 106839570
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63597100
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63854362
1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
CID 119974940
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine (CID 63595516) is 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine is CC(N)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is QLENAEAURUXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10(12)11-4-8-14(9-5-11)17(15,16)13-6-2-3-7-13/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine?
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 63595516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).