2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide

C9H21N3O2S — CID 114958523

IUPAC2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
SMILESCCNC(C)C1CCCCN1S(N)(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-3-11-8(2)9-6-4-5-7-12(9)15(10,13)14/h8-9,11H,3-7H2,1-2H3,(H2,10,13,14)
InChIKeyKAIVHWPQBXSLFT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.04
Rot. Bonds4

About 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide

2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 114958523) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
PubChem CID114958523
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
SMILESCCNC(C)C1CCCCN1S(N)(=O)=O
InChIInChI=1S/C9H21N3O2S/c1-3-11-8(2)9-6-4-5-7-12(9)15(10,13)14/h8-9,11H,3-7H2,1-2H3,(H2,10,13,14)
InChIKeyKAIVHWPQBXSLFT-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854552
1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
CID 55256858
1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854553
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
CID 106721500
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 63853825
N-ethyl-1-[1-(2-methoxyethyl)piperidin-2-yl]ethanamine
CID 63854863
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
CID 105360397
N,N-diethyl-2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63855212
tert-butyl (2R)-2-[(1S)-1-(ethylamino)ethyl]piperidine-1-carboxylate
CID 97177417
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63853461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide (CID 114958523) is 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide is CCNC(C)C1CCCCN1S(N)(=O)=O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is KAIVHWPQBXSLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-11-8(2)9-6-4-5-7-12(9)15(10,13)14/h8-9,11H,3-7H2,1-2H3,(H2,10,13,14).
What are the key properties of 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide?
2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114958523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).