3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide

C10H14N2O2S — CID 174751962

IUPAC3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
SMILESNCc1ccc(C=CCS(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-8-10-5-3-9(4-6-10)2-1-7-15(12,13)14/h1-6H,7-8,11H2,(H2,12,13,14)
InChIKeyWVXBAYMINKHZAM-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.45
Rot. Bonds4

About 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide

3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide (PubChem CID 174751962) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
PubChem CID174751962
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
SMILESNCc1ccc(C=CCS(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-8-10-5-3-9(4-6-10)2-1-7-15(12,13)14/h1-6H,7-8,11H2,(H2,12,13,14)
InChIKeyWVXBAYMINKHZAM-UHFFFAOYSA-N
XLogP0.45
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(aziridin-1-ylsulfonyl)prop-1-enyl]phenyl]methanamine
CID 174752037
[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
1-[3-[4-(aminomethyl)phenyl]prop-2-enylsulfonyl]piperidine-4-carboxylic acid
CID 174647506
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
[4-(2-iodoethenyl)phenyl]methanamine
CID 174758565
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
CID 174929671
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
[4-[3-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)sulfonylprop-1-enyl]phenyl]methanamine
CID 174556899
3-[4-(aminomethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 68848924
(E)-3-[4-(2-methylsulfonylethyl)phenyl]prop-2-en-1-amine
CID 115111051
1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
CID 70468430
3-(4-chlorophenyl)prop-2-ene-1-sulfonyl chloride
CID 174258054

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide?
The IUPAC name of 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide (CID 174751962) is 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide is NCc1ccc(C=CCS(N)(=O)=O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide?
The InChIKey is WVXBAYMINKHZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-10-5-3-9(4-6-10)2-1-7-15(12,13)14/h1-6H,7-8,11H2,(H2,12,13,14).
What are the key properties of 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide?
3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 174751962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).