2-(2-piperidin-1-ylpropylamino)ethanesulfonamide

C10H23N3O2S — CID 114384890

IUPAC2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
SMILESCC(CNCCS(N)(=O)=O)N1CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(13-6-3-2-4-7-13)9-12-5-8-16(11,14)15/h10,12H,2-9H2,1H3,(H2,11,14,15)
InChIKeyDFEOMTKQWMHZTA-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.26
Rot. Bonds6

About 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide

2-(2-piperidin-1-ylpropylamino)ethanesulfonamide (PubChem CID 114384890) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
PubChem CID114384890
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
SMILESCC(CNCCS(N)(=O)=O)N1CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(13-6-3-2-4-7-13)9-12-5-8-16(11,14)15/h10,12H,2-9H2,1H3,(H2,11,14,15)
InChIKeyDFEOMTKQWMHZTA-UHFFFAOYSA-N
XLogP-0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyrrolidin-1-ylpropylamino)ethanesulfonamide
CID 114385119
1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 63663943
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
CID 61017318
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide?
The IUPAC name of 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide (CID 114384890) is 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide is CC(CNCCS(N)(=O)=O)N1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide?
The InChIKey is DFEOMTKQWMHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(13-6-3-2-4-7-13)9-12-5-8-16(11,14)15/h10,12H,2-9H2,1H3,(H2,11,14,15).
What are the key properties of 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide?
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylpropylamino)ethanesulfonamide is sourced from PubChem (CID 114384890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).