N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine

C15H31N3O2S — CID 122139905

IUPACN,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-16(4-2)13-14-17-11-7-15(8-12-17)21(19,20)18-9-5-6-10-18/h15H,3-14H2,1-2H3
InChIKeyMAKGIVJSKBDHPG-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.22
Rot. Bonds7

About N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine

N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine (PubChem CID 122139905) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine
PubChem CID122139905
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-16(4-2)13-14-17-11-7-15(8-12-17)21(19,20)18-9-5-6-10-18/h15H,3-14H2,1-2H3
InChIKeyMAKGIVJSKBDHPG-UHFFFAOYSA-N
XLogP1.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine (CID 122139905) is N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine is CCN(CC)CCN1CCC(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine?
The InChIKey is MAKGIVJSKBDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-16(4-2)13-14-17-11-7-15(8-12-17)21(19,20)18-9-5-6-10-18/h15H,3-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine?
N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine has a molecular weight of 317.50 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 122139905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).