5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide

C10H23N3O3S — CID 114816110

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(CN)CCC1C
InChIInChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLSMBHPARCFLXLD-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.47
Rot. Bonds6

About 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide

5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 114816110) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
PubChem CID114816110
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(CN)CCC1C
InChIInChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLSMBHPARCFLXLD-UHFFFAOYSA-N
XLogP-0.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.47
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

4-(2-methoxyethylamino)-N,N-dimethylpiperidine-1-sulfonamide
CID 60043439
1-(2-Methoxyethyl)-3-methylpiperidin-4-amine
CID 61558674
4-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813689
4-amino-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 134247556
N-(2-methylhexan-2-yl)morpholine-4-sulfonamide
CID 138623366
N-(5-methylhexyl)morpholine-4-sulfonamide
CID 163299404
N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43502102
N-(1-hydroxypropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 43502296
N-(1-piperidin-3-ylethyl)morpholine-4-sulfonamide
CID 43523452
N-(2-amino-4-methylpentyl)morpholine-4-sulfonamide
CID 43606389
N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43606427
N-(2-methoxyethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665313

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide (CID 114816110) is 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide is COCCNS(=O)(=O)N1CC(CN)CCC1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is LSMBHPARCFLXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114816110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).