N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide

C13H29N3O3S — CID 114816835

IUPACN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCCC1CNCC(C)C
InChIInChI=1S/C13H29N3O3S/c1-12(2)10-14-11-13-6-4-5-8-16(13)20(17,18)15-7-9-19-3/h12-15H,4-11H2,1-3H3
InChIKeyNMZAFKRFPVEQBR-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds9

About N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide

N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide (PubChem CID 114816835) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
PubChem CID114816835
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCCC1CNCC(C)C
InChIInChI=1S/C13H29N3O3S/c1-12(2)10-14-11-13-6-4-5-8-16(13)20(17,18)15-7-9-19-3/h12-15H,4-11H2,1-3H3
InChIKeyNMZAFKRFPVEQBR-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.57
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-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 106068725
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide (CID 114816835) is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCCCC1CNCC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is NMZAFKRFPVEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-12(2)10-14-11-13-6-4-5-8-16(13)20(17,18)15-7-9-19-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide?
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114816835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).