N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide

C14H24N4O2S — CID 63631308

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
SMILESNCCN1CCC(NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C14H24N4O2S/c15-7-11-18-9-4-14(5-10-18)17-21(19,20)12-6-13-3-1-2-8-16-13/h1-3,8,14,17H,4-7,9-12,15H2
InChIKeyQSJGMJMBHBSVAT-UHFFFAOYSA-N
MW312.44 g/mol
LogP-0.03
Rot. Bonds7

About N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide

N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 63631308) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
PubChem CID63631308
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
SMILESNCCN1CCC(NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C14H24N4O2S/c15-7-11-18-9-4-14(5-10-18)17-21(19,20)12-6-13-3-1-2-8-16-13/h1-3,8,14,17H,4-7,9-12,15H2
InChIKeyQSJGMJMBHBSVAT-UHFFFAOYSA-N
XLogP-0.03
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830
N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63767385
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
CID 82840219
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide (CID 63631308) is N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide is NCCN1CCC(NS(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is QSJGMJMBHBSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c15-7-11-18-9-4-14(5-10-18)17-21(19,20)12-6-13-3-1-2-8-16-13/h1-3,8,14,17H,4-7,9-12,15H2.
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 63631308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).