N-[2-(aminomethoxy)propyl]benzenesulfonamide

C10H16N2O3S — CID 172608370

IUPACN-[2-(aminomethoxy)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1)OCN
InChIInChI=1S/C10H16N2O3S/c1-9(15-8-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
InChIKeyFGIYXTRSKBOKNG-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.29
Rot. Bonds6

About N-[2-(aminomethoxy)propyl]benzenesulfonamide

N-[2-(aminomethoxy)propyl]benzenesulfonamide (PubChem CID 172608370) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(aminomethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethoxy)propyl]benzenesulfonamide
PubChem CID172608370
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[2-(aminomethoxy)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1)OCN
InChIInChI=1S/C10H16N2O3S/c1-9(15-8-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
InChIKeyFGIYXTRSKBOKNG-UHFFFAOYSA-N
XLogP0.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
CID 58821622
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
N-(2-methylheptyl)benzenesulfonamide
CID 143260336
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethoxy)propyl]benzenesulfonamide?
The IUPAC name of N-[2-(aminomethoxy)propyl]benzenesulfonamide (CID 172608370) is N-[2-(aminomethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethoxy)propyl]benzenesulfonamide?
The canonical SMILES for N-[2-(aminomethoxy)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccccc1)OCN.
What is the InChIKey of N-[2-(aminomethoxy)propyl]benzenesulfonamide?
The InChIKey is FGIYXTRSKBOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-9(15-8-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3.
What are the key properties of N-[2-(aminomethoxy)propyl]benzenesulfonamide?
N-[2-(aminomethoxy)propyl]benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 172608370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).