N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide

C9H21N3O2S — CID 43603509

IUPACN-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCN)C1
InChIInChI=1S/C9H21N3O2S/c1-8-5-9(2)7-12(6-8)15(13,14)11-4-3-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFIEFAJWWWYBILQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.24
Rot. Bonds4

About N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide

N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43603509) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43603509
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCN)C1
InChIInChI=1S/C9H21N3O2S/c1-8-5-9(2)7-12(6-8)15(13,14)11-4-3-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyFIEFAJWWWYBILQ-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 63888346
(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
CID 52530156
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
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3,5-dimethylpiperidine-1-sulfonamide
CID 43132027

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide (CID 43603509) is N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is FIEFAJWWWYBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8-5-9(2)7-12(6-8)15(13,14)11-4-3-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43603509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).