N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide

C9H21N3O2S — CID 119908725

IUPACN-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(N)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-15(13,14)11-5-8-12-6-3-9(10)4-7-12/h9,11H,2-8,10H2,1H3
InChIKeyZXQFVNKFRFHQOV-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.65
Rot. Bonds5

About N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide

N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide (PubChem CID 119908725) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
PubChem CID119908725
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(N)CC1
InChIInChI=1S/C9H21N3O2S/c1-2-15(13,14)11-5-8-12-6-3-9(10)4-7-12/h9,11H,2-8,10H2,1H3
InChIKeyZXQFVNKFRFHQOV-UHFFFAOYSA-N
XLogP-0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
CID 111111504
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 119920149
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]ethanesulfonamide
CID 136534686
3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
CID 61241260
N-(3-aminopyrrolidin-1-yl)ethanesulfonamide
CID 66872263
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119907593
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 100613768
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide (CID 119908725) is N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide?
The InChIKey is ZXQFVNKFRFHQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-15(13,14)11-5-8-12-6-3-9(10)4-7-12/h9,11H,2-8,10H2,1H3.
What are the key properties of N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide?
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 119908725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).