3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide

C10H16N2O3S — CID 174751701

IUPAC3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
SMILESNCc1cccc(OCCCS(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c11-8-9-3-1-4-10(7-9)15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8,11H2,(H2,12,13,14)
InChIKeyBEAPZJNHMQJSTP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.20
Rot. Bonds6

About 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide

3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide (PubChem CID 174751701) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
PubChem CID174751701
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
SMILESNCc1cccc(OCCCS(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c11-8-9-3-1-4-10(7-9)15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8,11H2,(H2,12,13,14)
InChIKeyBEAPZJNHMQJSTP-UHFFFAOYSA-N
XLogP0.20
TPSA95.41 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 ≤ 50.20
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

[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
CID 64696416
[3-[3-(oxan-4-ylsulfonyl)propoxy]phenyl]methanamine
CID 64696420
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
CID 64696203
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methanamine
CID 82955995
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide (CID 174751701) is 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide is NCc1cccc(OCCCS(N)(=O)=O)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide?
The InChIKey is BEAPZJNHMQJSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-8-9-3-1-4-10(7-9)15-5-2-6-16(12,13)14/h1,3-4,7H,2,5-6,8,11H2,(H2,12,13,14).
What are the key properties of 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide?
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide is sourced from PubChem (CID 174751701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).