N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide

C11H25N3O3S — CID 114134691

IUPACN-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H25N3O3S/c1-3-13(2)8-6-12-18(16,17)14-7-4-5-11(9-14)10-15/h11-12,15H,3-10H2,1-2H3
InChIKeyCOYVTQQCLDNTTE-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.52
Rot. Bonds7

About N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide (PubChem CID 114134691) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
PubChem CID114134691
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H25N3O3S/c1-3-13(2)8-6-12-18(16,17)14-7-4-5-11(9-14)10-15/h11-12,15H,3-10H2,1-2H3
InChIKeyCOYVTQQCLDNTTE-UHFFFAOYSA-N
XLogP-0.52
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014030
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696
3-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106410338
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide (CID 114134691) is N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide is CCN(C)CCNS(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
The InChIKey is COYVTQQCLDNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-3-13(2)8-6-12-18(16,17)14-7-4-5-11(9-14)10-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114134691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).