2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide

C24H40N8O4S2 — CID 158558609

IUPAC2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCN(c2ccncc2)CC1.NCCS(=O)(=O)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/2C12H20N4O2S/c2*13-5-10-19(17,18)15-11-3-8-16(9-4-11)12-1-6-14-7-2-12/h2*1-2,6-7,11,15H,3-5,8-10,13H2
InChIKeyHQPHPIAYIDRLAY-UHFFFAOYSA-N
MW568.77 g/mol
LogP-0.14
Rot. Bonds10

About 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide

2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 158558609) has the molecular formula C24H40N8O4S2 and a molecular weight of 568.77 g/mol. Its IUPAC name is 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID158558609
Molecular FormulaC24H40N8O4S2
Molecular Weight568.77 g/mol
Exact Mass568.26
IUPAC Name2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCN(c2ccncc2)CC1.NCCS(=O)(=O)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/2C12H20N4O2S/c2*13-5-10-19(17,18)15-11-3-8-16(9-4-11)12-1-6-14-7-2-12/h2*1-2,6-7,11,15H,3-5,8-10,13H2
InChIKeyHQPHPIAYIDRLAY-UHFFFAOYSA-N
XLogP-0.14
TPSA176.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.77
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
CID 66624402
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 79563479
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 166282079
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
CID 83210815
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide (CID 158558609) is 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide is NCCS(=O)(=O)NC1CCN(c2ccncc2)CC1.NCCS(=O)(=O)NC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is HQPHPIAYIDRLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N4O2S/c2*13-5-10-19(17,18)15-11-3-8-16(9-4-11)12-1-6-14-7-2-12/h2*1-2,6-7,11,15H,3-5,8-10,13H2.
What are the key properties of 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide?
2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 568.77 g/mol, XLogP of -0.14, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 158558609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).